N-(4-bromophenyl)-2-chloropyridine-3-carboxamide

C12H8BrClN2O — CID 4604195

IUPACN-(4-bromophenyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)14/h1-7H,(H,16,17)
InChIKeyUVGYVEYHRUFVQN-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.75
Rot. Bonds2

About N-(4-bromophenyl)-2-chloropyridine-3-carboxamide

N-(4-bromophenyl)-2-chloropyridine-3-carboxamide (PubChem CID 4604195) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-chloropyridine-3-carboxamide
PubChem CID4604195
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC NameN-(4-bromophenyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)14/h1-7H,(H,16,17)
InChIKeyUVGYVEYHRUFVQN-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.75
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

2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
2-chloro-N-[4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxamide
CID 111113147
N-[4-(acetylcarbamothioylamino)phenyl]-2-chloropyridine-3-carboxamide
CID 930095
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-chloropyridine-3-carboxamide (CID 4604195) is N-(4-bromophenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-chloropyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccnc1Cl.
What is the InChIKey of N-(4-bromophenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is UVGYVEYHRUFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)14/h1-7H,(H,16,17).
What are the key properties of N-(4-bromophenyl)-2-chloropyridine-3-carboxamide?
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide has a molecular weight of 311.57 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 4604195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).