5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide

C12H9BrClN3O3S — CID 62000829

IUPAC5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(Br)cnc2Cl)cn1
InChIInChI=1S/C12H9BrClN3O3S/c1-21(19,20)10-3-2-8(6-15-10)17-12(18)9-4-7(13)5-16-11(9)14/h2-6H,1H3,(H,17,18)
InChIKeyMONLFJIDELAXEX-UHFFFAOYSA-N
MW390.65 g/mol
LogP2.55
Rot. Bonds3

About 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 62000829) has the molecular formula C12H9BrClN3O3S and a molecular weight of 390.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID62000829
Molecular FormulaC12H9BrClN3O3S
Molecular Weight390.65 g/mol
Exact Mass388.92
IUPAC Name5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(Br)cnc2Cl)cn1
InChIInChI=1S/C12H9BrClN3O3S/c1-21(19,20)10-3-2-8(6-15-10)17-12(18)9-4-7(13)5-16-11(9)14/h2-6H,1H3,(H,17,18)
InChIKeyMONLFJIDELAXEX-UHFFFAOYSA-N
XLogP2.55
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 103763941
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 47037064
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide (CID 62000829) is 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2cc(Br)cnc2Cl)cn1.
What is the InChIKey of 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is MONLFJIDELAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O3S/c1-21(19,20)10-3-2-8(6-15-10)17-12(18)9-4-7(13)5-16-11(9)14/h2-6H,1H3,(H,17,18).
What are the key properties of 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 390.65 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 62000829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).