3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide

C12H9BrClN3O — CID 113447794

IUPAC3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H9BrClN3O/c13-8-4-3-7(14)6-10(8)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)
InChIKeyWTQJQSKPTBYGJV-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide

3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide (PubChem CID 113447794) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
PubChem CID113447794
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H9BrClN3O/c13-8-4-3-7(14)6-10(8)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)
InChIKeyWTQJQSKPTBYGJV-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

2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide
CID 114027359
N-(2,5-dibromophenyl)-3-hydroxypyridine-2-carboxamide
CID 54955142
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
3-amino-N-(5-carbamoyl-2-fluorophenyl)pyridine-2-carboxamide
CID 104741270
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide (CID 113447794) is 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide?
The InChIKey is WTQJQSKPTBYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-8-4-3-7(14)6-10(8)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18).
What are the key properties of 3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide?
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-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-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113447794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).