N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide

C12H7BrCl2N2O — CID 113278384

IUPACN-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H7BrCl2N2O/c13-9-3-2-8(5-10(9)14)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H,17,18)
InChIKeyRZVNHDSMIFBKJA-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide

N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide (PubChem CID 113278384) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
PubChem CID113278384
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC NameN-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H7BrCl2N2O/c13-9-3-2-8(5-10(9)14)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H,17,18)
InChIKeyRZVNHDSMIFBKJA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 58639494
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide (CID 113278384) is N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)nc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide?
The InChIKey is RZVNHDSMIFBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-9-3-2-8(5-10(9)14)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H,17,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-6-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-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 113278384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).