2-chloro-N-methyl-1H-pyridine-2-carboxamide

C7H9ClN2O — CID 151398196

IUPAC2-chloro-N-methyl-1H-pyridine-2-carboxamide
SMILESCNC(=O)C1(Cl)C=CC=CN1
InChIInChI=1S/C7H9ClN2O/c1-9-6(11)7(8)4-2-3-5-10-7/h2-5,10H,1H3,(H,9,11)
InChIKeyOVXNASRBCWOIPQ-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.34
Rot. Bonds1

About 2-chloro-N-methyl-1H-pyridine-2-carboxamide

2-chloro-N-methyl-1H-pyridine-2-carboxamide (PubChem CID 151398196) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-chloro-N-methyl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-1H-pyridine-2-carboxamide
PubChem CID151398196
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-chloro-N-methyl-1H-pyridine-2-carboxamide
SMILESCNC(=O)C1(Cl)C=CC=CN1
InChIInChI=1S/C7H9ClN2O/c1-9-6(11)7(8)4-2-3-5-10-7/h2-5,10H,1H3,(H,9,11)
InChIKeyOVXNASRBCWOIPQ-UHFFFAOYSA-N
XLogP0.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-1H-pyridine-2-carboxamide?
The IUPAC name of 2-chloro-N-methyl-1H-pyridine-2-carboxamide (CID 151398196) is 2-chloro-N-methyl-1H-pyridine-2-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-1H-pyridine-2-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-1H-pyridine-2-carboxamide is CNC(=O)C1(Cl)C=CC=CN1.
What is the InChIKey of 2-chloro-N-methyl-1H-pyridine-2-carboxamide?
The InChIKey is OVXNASRBCWOIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-9-6(11)7(8)4-2-3-5-10-7/h2-5,10H,1H3,(H,9,11).
What are the key properties of 2-chloro-N-methyl-1H-pyridine-2-carboxamide?
2-chloro-N-methyl-1H-pyridine-2-carboxamide has a molecular weight of 172.62 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 151398196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).