4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide

C12H9BrClN3O — CID 67164027

IUPAC4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(13)5-10(16-7)12(18)17-11-3-2-9(14)6-15-11/h2-6H,1H3,(H,15,17,18)
InChIKeyIBCJZZRMJSTEKX-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide

4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide (PubChem CID 67164027) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
PubChem CID67164027
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(13)5-10(16-7)12(18)17-11-3-2-9(14)6-15-11/h2-6H,1H3,(H,15,17,18)
InChIKeyIBCJZZRMJSTEKX-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide
CID 59479371
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
CID 114219747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide (CID 67164027) is 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide is Cc1cc(Br)cc(C(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The InChIKey is IBCJZZRMJSTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-4-8(13)5-10(16-7)12(18)17-11-3-2-9(14)6-15-11/h2-6H,1H3,(H,15,17,18).
What are the key properties of 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 67164027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).