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

C7H7ClN2O2 — CID 46737876

IUPAC2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(CCl)Nc1c[nH]ccc1=O
InChIInChI=1S/C7H7ClN2O2/c8-3-7(12)10-5-4-9-2-1-6(5)11/h1-2,4H,3H2,(H,9,11)(H,10,12)
InChIKeyTVIAIJBHZUPFRB-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.55
Rot. Bonds2

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

2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 46737876) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide
PubChem CID46737876
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(CCl)Nc1c[nH]ccc1=O
InChIInChI=1S/C7H7ClN2O2/c8-3-7(12)10-5-4-9-2-1-6(5)11/h1-2,4H,3H2,(H,9,11)(H,10,12)
InChIKeyTVIAIJBHZUPFRB-UHFFFAOYSA-N
XLogP0.55
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.55
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)propanamide
CID 130683462
2-(cyclopropylmethoxy)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 51087154
4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 47176378
3,4-dichloro-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]benzamide
CID 60512470
3-(propylamino)-1H-pyridin-4-one
CID 82667991
5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide
CID 60512469
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 71939920
N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71937481
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51114324
2-chloro-N-[4-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 14220963
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide (CID 46737876) is 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide is O=C(CCl)Nc1c[nH]ccc1=O.
What is the InChIKey of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is TVIAIJBHZUPFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-3-7(12)10-5-4-9-2-1-6(5)11/h1-2,4H,3H2,(H,9,11)(H,10,12).
What are the key properties of 2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide?
2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 186.60 g/mol, XLogP of 0.55, 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)acetamide is sourced from PubChem (CID 46737876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).