2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide

C8H9ClN2O2 — CID 130683462

IUPAC2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide
SMILESCC(Cl)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C8H9ClN2O2/c1-5(9)8(13)11-6-4-10-3-2-7(6)12/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKeyYXNBAOVOXUSMTE-UHFFFAOYSA-N
MW200.62 g/mol
LogP0.94
Rot. Bonds2

About 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide

2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 130683462) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide
PubChem CID130683462
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide
SMILESCC(Cl)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C8H9ClN2O2/c1-5(9)8(13)11-6-4-10-3-2-7(6)12/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKeyYXNBAOVOXUSMTE-UHFFFAOYSA-N
XLogP0.94
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 46737876
(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
CID 94151702
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide (CID 130683462) is 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide is CC(Cl)C(=O)Nc1c[nH]ccc1=O.
What is the InChIKey of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is YXNBAOVOXUSMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(9)8(13)11-6-4-10-3-2-7(6)12/h2-5H,1H3,(H,10,12)(H,11,13).
What are the key properties of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide?
2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 200.62 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 130683462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).