2-pyridin-3-ylacetyl chloride

C7H6ClNO — CID 14697475

IUPAC2-pyridin-3-ylacetyl chloride
SMILESO=C(Cl)Cc1cccnc1
InChIInChI=1S/C7H6ClNO/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2
InChIKeyYLVFMHCTUFZMFC-UHFFFAOYSA-N
MW155.58 g/mol
LogP1.39
Rot. Bonds2

About 2-pyridin-3-ylacetyl chloride

2-pyridin-3-ylacetyl chloride (PubChem CID 14697475) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is 2-pyridin-3-ylacetyl chloride.

Molecular Properties

Compound Name2-pyridin-3-ylacetyl chloride
PubChem CID14697475
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name2-pyridin-3-ylacetyl chloride
SMILESO=C(Cl)Cc1cccnc1
InChIInChI=1S/C7H6ClNO/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2
InChIKeyYLVFMHCTUFZMFC-UHFFFAOYSA-N
XLogP1.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

CID 66868100
CID 66868100
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
3-pyridin-3-yl-2-sulfanylidenepropanoic acid
CID 7376223
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-(5-chloropyrazin-2-yl)-2-pyridin-3-ylacetamide
CID 107595873
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
pyridin-3-yl 2-pyridin-3-ylacetate
CID 142079829
1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
CID 115799097
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylacetyl chloride?
The IUPAC name of 2-pyridin-3-ylacetyl chloride (CID 14697475) is 2-pyridin-3-ylacetyl chloride.
What is the SMILES notation for 2-pyridin-3-ylacetyl chloride?
The canonical SMILES for 2-pyridin-3-ylacetyl chloride is O=C(Cl)Cc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylacetyl chloride?
The InChIKey is YLVFMHCTUFZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2.
What are the key properties of 2-pyridin-3-ylacetyl chloride?
2-pyridin-3-ylacetyl chloride has a molecular weight of 155.58 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylacetyl chloride is sourced from PubChem (CID 14697475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).