4-chloro-N-methylpyridine-2-carboxamide

C7H7ClN2O — CID 1476814

IUPAC4-chloro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChIKeyBGVBBMZMEKXUTR-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.09
Rot. Bonds1

About 4-chloro-N-methylpyridine-2-carboxamide

4-chloro-N-methylpyridine-2-carboxamide (PubChem CID 1476814) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-chloro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methylpyridine-2-carboxamide
PubChem CID1476814
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name4-chloro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChIKeyBGVBBMZMEKXUTR-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-methylpyridine-2-carboxamide (CID 1476814) is 4-chloro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-methylpyridine-2-carboxamide?
The InChIKey is BGVBBMZMEKXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11).
What are the key properties of 4-chloro-N-methylpyridine-2-carboxamide?
4-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 4-chloro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 1476814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).