6-chloro-1-methyl-2H-pyridine-3-carboxamide

C7H9ClN2O — CID 165394277

IUPAC6-chloro-1-methyl-2H-pyridine-3-carboxamide
SMILESCN1CC(C(N)=O)=CC=C1Cl
InChIInChI=1S/C7H9ClN2O/c1-10-4-5(7(9)11)2-3-6(10)8/h2-3H,4H2,1H3,(H2,9,11)
InChIKeyQRBWKYQBOTUFIQ-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.42
Rot. Bonds1

About 6-chloro-1-methyl-2H-pyridine-3-carboxamide

6-chloro-1-methyl-2H-pyridine-3-carboxamide (PubChem CID 165394277) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 6-chloro-1-methyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-2H-pyridine-3-carboxamide
PubChem CID165394277
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name6-chloro-1-methyl-2H-pyridine-3-carboxamide
SMILESCN1CC(C(N)=O)=CC=C1Cl
InChIInChI=1S/C7H9ClN2O/c1-10-4-5(7(9)11)2-3-6(10)8/h2-3H,4H2,1H3,(H2,9,11)
InChIKeyQRBWKYQBOTUFIQ-UHFFFAOYSA-N
XLogP0.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 12791801
3-(Aminomethyl)-1-methyl-pyridin-2-one;hydrochloride
CID 117273825
3-(Aminomethyl)-5-chloropyridin-2-ol hydrochloride
CID 118798102
3-((Methylamino)methyl)-1,2-dihydropyridin-2-one hydrochloride
CID 155819968
4-chloro-1-methyl-2H-pyridine-3-carboxamide
CID 17944987
1-Methyl-1,2-dihydropyridine-3-carboxamide
CID 17944990
1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
n1-Methylnicotinamide-d4
CID 163284730
d3-1-Methylnicotinamide
CID 166542377
3-(Aminomethyl)-5-chloropyridin-2-ol
CID 66222821
6-chloro-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 3693165

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2H-pyridine-3-carboxamide?
The IUPAC name of 6-chloro-1-methyl-2H-pyridine-3-carboxamide (CID 165394277) is 6-chloro-1-methyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-2H-pyridine-3-carboxamide is CN1CC(C(N)=O)=CC=C1Cl.
What is the InChIKey of 6-chloro-1-methyl-2H-pyridine-3-carboxamide?
The InChIKey is QRBWKYQBOTUFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-10-4-5(7(9)11)2-3-6(10)8/h2-3H,4H2,1H3,(H2,9,11).
What are the key properties of 6-chloro-1-methyl-2H-pyridine-3-carboxamide?
6-chloro-1-methyl-2H-pyridine-3-carboxamide has a molecular weight of 172.62 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 165394277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).