6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide

C12H9BrClN3O — CID 62154024

IUPAC6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C12H9BrClN3O/c13-8-2-1-3-9(5-8)17-12(18)7-4-10(14)11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeySVEJBYUZRGVHHB-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide

6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide (PubChem CID 62154024) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide
PubChem CID62154024
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C12H9BrClN3O/c13-8-2-1-3-9(5-8)17-12(18)7-4-10(14)11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeySVEJBYUZRGVHHB-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
CID 2095074
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
N-(3-bromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248318
6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
6-amino-5-chloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 62151288
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide (CID 62154024) is 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide is Nc1ncc(C(=O)Nc2cccc(Br)c2)cc1Cl.
What is the InChIKey of 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide?
The InChIKey is SVEJBYUZRGVHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-8-2-1-3-9(5-8)17-12(18)7-4-10(14)11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide?
6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 62154024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).