5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide

C12H8BrCl2N3O — CID 65491463

IUPAC5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-2-3-16-11(15)9(6)18-12(19)8-4-7(13)5-17-10(8)14/h2-5H,1H3,(H,18,19)
InChIKeyCQKYQWSEWSYVRF-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.11
Rot. Bonds2

About 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 65491463) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID65491463
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-2-3-16-11(15)9(6)18-12(19)8-4-7(13)5-17-10(8)14/h2-5H,1H3,(H,18,19)
InChIKeyCQKYQWSEWSYVRF-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

5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
CID 82818718
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
CID 104852796
5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889174
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
CID 65488908
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 65491463) is 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide is Cc1ccnc(Cl)c1NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is CQKYQWSEWSYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c1-6-2-3-16-11(15)9(6)18-12(19)8-4-7(13)5-17-10(8)14/h2-5H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-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 5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 65491463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).