5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide

C7H5ClN2O2 — CID 163974165

IUPAC5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide
SMILESC=NC(=O)c1ccc(Cl)c(=O)[nH]1
InChIInChI=1S/C7H5ClN2O2/c1-9-7(12)5-3-2-4(8)6(11)10-5/h2-3H,1H2,(H,10,11)
InChIKeySSPNGKPSQUYAES-UHFFFAOYSA-N
MW184.58 g/mol
LogP0.87
Rot. Bonds1

About 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide

5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 163974165) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide
PubChem CID163974165
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC Name5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide
SMILESC=NC(=O)c1ccc(Cl)c(=O)[nH]1
InChIInChI=1S/C7H5ClN2O2/c1-9-7(12)5-3-2-4(8)6(11)10-5/h2-3H,1H2,(H,10,11)
InChIKeySSPNGKPSQUYAES-UHFFFAOYSA-N
XLogP0.87
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide (CID 163974165) is 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide is C=NC(=O)c1ccc(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is SSPNGKPSQUYAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c1-9-7(12)5-3-2-4(8)6(11)10-5/h2-3H,1H2,(H,10,11).
What are the key properties of 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide?
5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 184.58 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methylidene-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 163974165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).