N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide

C12H9BrClN3O — CID 114027359

IUPACN-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide
SMILESNc1cccnc1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H9BrClN3O/c13-9-4-3-7(14)6-8(9)12(18)17-11-10(15)2-1-5-16-11/h1-6H,15H2,(H,16,17,18)
InChIKeyJISPGXMMMUNUSU-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide

N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide (PubChem CID 114027359) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide
PubChem CID114027359
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide
SMILESNc1cccnc1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H9BrClN3O/c13-9-4-3-7(14)6-8(9)12(18)17-11-10(15)2-1-5-16-11/h1-6H,15H2,(H,16,17,18)
InChIKeyJISPGXMMMUNUSU-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-amino-2-pyridinyl)-2,5-dichlorobenzamide
CID 113391799
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
N-(3-amino-2-pyridinyl)-5-bromo-2-hydroxybenzamide
CID 107729262
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
N-(2-bromo-4-chlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 81274967
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide?
The IUPAC name of N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide (CID 114027359) is N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide?
The canonical SMILES for N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide is Nc1cccnc1NC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide?
The InChIKey is JISPGXMMMUNUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-9-4-3-7(14)6-8(9)12(18)17-11-10(15)2-1-5-16-11/h1-6H,15H2,(H,16,17,18).
What are the key properties of N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide?
N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide 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-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide is sourced from PubChem (CID 114027359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).