2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide

C12H9Cl2N3O — CID 104952774

IUPAC2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2Cl)cc(Cl)n1
InChIInChI=1S/C12H9Cl2N3O/c1-7-5-8(6-10(14)16-7)12(18)17-11-9(13)3-2-4-15-11/h2-6H,1H3,(H,15,17,18)
InChIKeyBSMLNVCJLNRUEC-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

About 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide (PubChem CID 104952774) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
PubChem CID104952774
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2Cl)cc(Cl)n1
InChIInChI=1S/C12H9Cl2N3O/c1-7-5-8(6-10(14)16-7)12(18)17-11-9(13)3-2-4-15-11/h2-6H,1H3,(H,15,17,18)
InChIKeyBSMLNVCJLNRUEC-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
2-chloro-N-(4-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104954651
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
N-(3-chloro-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103892968
N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103943483
3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
CID 103094075
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
4-amino-3,5-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 82786177
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
CID 99612025
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 103094851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide (CID 104952774) is 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ncccc2Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide?
The InChIKey is BSMLNVCJLNRUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-5-8(6-10(14)16-7)12(18)17-11-9(13)3-2-4-15-11/h2-6H,1H3,(H,15,17,18).
What are the key properties of 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 104952774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).