6-chloro-N-methylpyridine-2-carboxamide

C7H7ClN2O — CID 24903387

IUPAC6-chloro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C7H7ClN2O/c1-9-7(11)5-3-2-4-6(8)10-5/h2-4H,1H3,(H,9,11)
InChIKeyPZDCYXWZXSTONB-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.09
Rot. Bonds1

About 6-chloro-N-methylpyridine-2-carboxamide

6-chloro-N-methylpyridine-2-carboxamide (PubChem CID 24903387) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 6-chloro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methylpyridine-2-carboxamide
PubChem CID24903387
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name6-chloro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C7H7ClN2O/c1-9-7(11)5-3-2-4-6(8)10-5/h2-4H,1H3,(H,9,11)
InChIKeyPZDCYXWZXSTONB-UHFFFAOYSA-N
XLogP1.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methylpyridine-2-carboxamide (CID 24903387) is 6-chloro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methylpyridine-2-carboxamide?
The InChIKey is PZDCYXWZXSTONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-9-7(11)5-3-2-4-6(8)10-5/h2-4H,1H3,(H,9,11).
What are the key properties of 6-chloro-N-methylpyridine-2-carboxamide?
6-chloro-N-methylpyridine-2-carboxamide has a molecular weight of 170.60 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 24903387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).