2-chloro-N-(5-cyano-2-pyridinyl)acetamide

C8H6ClN3O — CID 44574293

IUPAC2-chloro-N-(5-cyano-2-pyridinyl)acetamide
SMILESN#Cc1ccc(NC(=O)CCl)nc1
InChIInChI=1S/C8H6ClN3O/c9-3-8(13)12-7-2-1-6(4-10)5-11-7/h1-2,5H,3H2,(H,11,12,13)
InChIKeyKGHYTOVPVFTVNF-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.13
Rot. Bonds2

About 2-chloro-N-(5-cyano-2-pyridinyl)acetamide

2-chloro-N-(5-cyano-2-pyridinyl)acetamide (PubChem CID 44574293) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-N-(5-cyano-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-cyano-2-pyridinyl)acetamide
PubChem CID44574293
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-chloro-N-(5-cyano-2-pyridinyl)acetamide
SMILESN#Cc1ccc(NC(=O)CCl)nc1
InChIInChI=1S/C8H6ClN3O/c9-3-8(13)12-7-2-1-6(4-10)5-11-7/h1-2,5H,3H2,(H,11,12,13)
InChIKeyKGHYTOVPVFTVNF-UHFFFAOYSA-N
XLogP1.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 121004595
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
CID 115273471
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyano-2-pyridinyl)acetamide?
The IUPAC name of 2-chloro-N-(5-cyano-2-pyridinyl)acetamide (CID 44574293) is 2-chloro-N-(5-cyano-2-pyridinyl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-cyano-2-pyridinyl)acetamide?
The canonical SMILES for 2-chloro-N-(5-cyano-2-pyridinyl)acetamide is N#Cc1ccc(NC(=O)CCl)nc1.
What is the InChIKey of 2-chloro-N-(5-cyano-2-pyridinyl)acetamide?
The InChIKey is KGHYTOVPVFTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-3-8(13)12-7-2-1-6(4-10)5-11-7/h1-2,5H,3H2,(H,11,12,13).
What are the key properties of 2-chloro-N-(5-cyano-2-pyridinyl)acetamide?
2-chloro-N-(5-cyano-2-pyridinyl)acetamide has a molecular weight of 195.61 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyano-2-pyridinyl)acetamide is sourced from PubChem (CID 44574293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).