N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide

C12H7BrCl2N2O — CID 81263935

IUPACN-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cnccc1Cl
InChIInChI=1S/C12H7BrCl2N2O/c13-9-2-1-7(14)5-11(9)17-12(18)8-6-16-4-3-10(8)15/h1-6H,(H,17,18)
InChIKeyRTYBSGCXAGFXCK-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide

N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide (PubChem CID 81263935) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
PubChem CID81263935
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC NameN-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cnccc1Cl
InChIInChI=1S/C12H7BrCl2N2O/c13-9-2-1-7(14)5-11(9)17-12(18)8-6-16-4-3-10(8)15/h1-6H,(H,17,18)
InChIKeyRTYBSGCXAGFXCK-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.01
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide (CID 81263935) is N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Br)c1cnccc1Cl.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide?
The InChIKey is RTYBSGCXAGFXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-9-2-1-7(14)5-11(9)17-12(18)8-6-16-4-3-10(8)15/h1-6H,(H,17,18).
What are the key properties of N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide?
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide has a molecular weight of 346.01 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81263935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).