2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide

C10H13ClN2O — CID 13240387

IUPAC2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(C(N)=O)c(Cl)n1
InChIInChI=1S/C10H13ClN2O/c1-6(2)5-7-3-4-8(10(12)14)9(11)13-7/h3-4,6H,5H2,1-2H3,(H2,12,14)
InChIKeyYWHNCWZNTMXVGU-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.03
Rot. Bonds3

About 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide

2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 13240387) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID13240387
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(C(N)=O)c(Cl)n1
InChIInChI=1S/C10H13ClN2O/c1-6(2)5-7-3-4-8(10(12)14)9(11)13-7/h3-4,6H,5H2,1-2H3,(H2,12,14)
InChIKeyYWHNCWZNTMXVGU-UHFFFAOYSA-N
XLogP2.03
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.03
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-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide (CID 13240387) is 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide is CC(C)Cc1ccc(C(N)=O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is YWHNCWZNTMXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-6(2)5-7-3-4-8(10(12)14)9(11)13-7/h3-4,6H,5H2,1-2H3,(H2,12,14).
What are the key properties of 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide?
2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 13240387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).