6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide

C12H8BrCl2N3O — CID 66462941

IUPAC6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Br)nc2)c(Cl)cc1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-8(14)4-9(15)11(17-6)18-12(19)7-2-3-10(13)16-5-7/h2-5H,1H3,(H,17,18,19)
InChIKeyVXXRNBQZFZBHGI-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.11
Rot. Bonds2

About 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide

6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 66462941) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID66462941
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Br)nc2)c(Cl)cc1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-8(14)4-9(15)11(17-6)18-12(19)7-2-3-10(13)16-5-7/h2-5H,1H3,(H,17,18,19)
InChIKeyVXXRNBQZFZBHGI-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 54.11
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

N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 63978781
4-bromo-3-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)benzamide
CID 81307974
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 60704914
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79692769
6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 79946333
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 66462941) is 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(Br)nc2)c(Cl)cc1Cl.
What is the InChIKey of 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is VXXRNBQZFZBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c1-6-8(14)4-9(15)11(17-6)18-12(19)7-2-3-10(13)16-5-7/h2-5H,1H3,(H,17,18,19).
What are the key properties of 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 361.03 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).