2-(1-Pyrazolyl)pyridine - ≥98%(GC) , CAS No.25700-11-2

CAS: 25700-11-2 Cat. No.: P160634 분자식: C₈H₇N₃ 분자량: 145.17 EC 번호: 808-201-2 PubChem CID: 5324086

GRADE & PURITY ≥98%(GC)

Synonyms

XXTPHXNBKRVYJI-UHFFFAOYSA-N | 2-(1H-pyrazol-1-yl)pyridine | AMY5537 | F6592-2225 | AC-31843 | InChI=1/C8H7N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-7 | A852663 | P2239 | 2-pyrazol-1-ylpyridine | 2-PYRAZOL-1-YL-PYRIDINE | n-pyridylpyrazole | DS-7466 | SY056611 |

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

XXTPHXNBKRVYJI-UHFFFAOYSA-N | 2-(1H-pyrazol-1-yl)pyridine | AMY5537 | F6592-2225 | AC-31843 | InChI=1/C8H7N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-7 | A852663 | P2239 | 2-pyrazol-1-ylpyridine | 2-PYRAZOL-1-YL-PYRIDINE | n-pyridylpyrazole | DS-7466 | SY056611 |

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488195350

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195350

정식 스마일

C1=CC=NC(=C1)N2C=CC=N2

IUPAC Name

2-pyrazol-1-ylpyridine

InChIKey

XXTPHXNBKRVYJI-UHFFFAOYSA-N

INCHI

1S/C8H7N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-7H

이성체 SMILES

C1=CC=NC(=C1)N2C=CC=N2

PubChem CID

5324086

분자량

145.17

Reaxy-Rn

508831

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyrazolylpyridine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in methanol
• 발화점(°C): 114 °C
• 녹는점(°C): 39 °C
• 분자량: 145.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.064 Da
• Monoisotopic Mass: 145.064 Da
• Topological Polar Surface Area: 30.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 127.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 25700-11-2, the molecular formula is C8H7N3, and the molecular weight is 145.17 g/mol. InChIKey XXTPHXNBKRVYJI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.