3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide

C12H9Cl2N3O — CID 79042463

IUPAC3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ncccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7-9(3-2-6-15-7)16-12(18)11-8(13)4-5-10(14)17-11/h2-6H,1H3,(H,16,18)
InChIKeyZGFCVFSBDSXTPG-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

About 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 79042463) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID79042463
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ncccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7-9(3-2-6-15-7)16-12(18)11-8(13)4-5-10(14)17-11/h2-6H,1H3,(H,16,18)
InChIKeyZGFCVFSBDSXTPG-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

3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
CID 26727633
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
CID 61052606
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
3,6-dichloro-N-[5-methyl-2-(methylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 129130468
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65486049
3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 43547698
5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617853

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 79042463) is 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide is Cc1ncccc1NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is ZGFCVFSBDSXTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-9(3-2-6-15-7)16-12(18)11-8(13)4-5-10(14)17-11/h2-6H,1H3,(H,16,18).
What are the key properties of 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-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 3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 79042463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).