2-chloro-6-methylpyridine-3-carboxamide

C7H7ClN2O — CID 2799581

IUPAC2-chloro-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(Cl)n1
InChIInChI=1S/C7H7ClN2O/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3,(H2,9,11)
InChIKeyQFRWKKWOCPTEKS-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.14
Rot. Bonds1

About 2-chloro-6-methylpyridine-3-carboxamide

2-chloro-6-methylpyridine-3-carboxamide (PubChem CID 2799581) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 2-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methylpyridine-3-carboxamide
PubChem CID2799581
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name2-chloro-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(Cl)n1
InChIInChI=1S/C7H7ClN2O/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3,(H2,9,11)
InChIKeyQFRWKKWOCPTEKS-UHFFFAOYSA-N
XLogP1.14
TPSA55.98 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 ≤ 51.14
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 2-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-methylpyridine-3-carboxamide (CID 2799581) is 2-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-methylpyridine-3-carboxamide is Cc1ccc(C(N)=O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is QFRWKKWOCPTEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3,(H2,9,11).
What are the key properties of 2-chloro-6-methylpyridine-3-carboxamide?
2-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 170.60 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 2799581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).