3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide

C12H9BrClN3O — CID 105070699

IUPAC3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O/c13-9-5-7(1-2-10(9)14)17-12(18)8-3-4-16-6-11(8)15/h1-6H,15H2,(H,17,18)
InChIKeyNMSHTXRJJDBUGL-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide

3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide (PubChem CID 105070699) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
PubChem CID105070699
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O/c13-9-5-7(1-2-10(9)14)17-12(18)8-3-4-16-6-11(8)15/h1-6H,15H2,(H,17,18)
InChIKeyNMSHTXRJJDBUGL-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

3-amino-N-(4-bromophenyl)pyridine-4-carboxamide
CID 23633070
2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 105386900
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
N-(3-bromo-4-chlorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245404
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
3-amino-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070561
3-amino-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 23633068
3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide (CID 105070699) is 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide is Nc1cnccc1C(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is NMSHTXRJJDBUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-9-5-7(1-2-10(9)14)17-12(18)8-3-4-16-6-11(8)15/h1-6H,15H2,(H,17,18).
What are the key properties of 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide?
3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-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 3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105070699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).