N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide

C12H9BrClN3O — CID 107516836

IUPACN-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
SMILESNc1ccc(NC(=O)c2ncccc2Br)c(Cl)c1
InChIInChI=1S/C12H9BrClN3O/c13-8-2-1-5-16-11(8)12(18)17-10-4-3-7(15)6-9(10)14/h1-6H,15H2,(H,17,18)
InChIKeyRQUREZKHJJZYRT-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide

N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide (PubChem CID 107516836) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
PubChem CID107516836
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
SMILESNc1ccc(NC(=O)c2ncccc2Br)c(Cl)c1
InChIInChI=1S/C12H9BrClN3O/c13-8-2-1-5-16-11(8)12(18)17-10-4-3-7(15)6-9(10)14/h1-6H,15H2,(H,17,18)
InChIKeyRQUREZKHJJZYRT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861481
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide
CID 55059942
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide (CID 107516836) is N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide is Nc1ccc(NC(=O)c2ncccc2Br)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide?
The InChIKey is RQUREZKHJJZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-8-2-1-5-16-11(8)12(18)17-10-4-3-7(15)6-9(10)14/h1-6H,15H2,(H,17,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide?
N-(4-amino-2-chlorophenyl)-3-bromopyridine-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 N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide is sourced from PubChem (CID 107516836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).