N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide

C12H7BrCl2N2O — CID 2095074

IUPACN-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-8-2-1-3-9(5-8)17-12(18)7-4-10(14)11(15)16-6-7/h1-6H,(H,17,18)
InChIKeyLYVVEHRXYPXJRS-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide

N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 2095074) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
PubChem CID2095074
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC NameN-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-8-2-1-3-9(5-8)17-12(18)7-4-10(14)11(15)16-6-7/h1-6H,(H,17,18)
InChIKeyLYVVEHRXYPXJRS-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

6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide
CID 62154024
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
N-(3-bromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248318
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide (CID 2095074) is N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide is O=C(Nc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is LYVVEHRXYPXJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-8-2-1-3-9(5-8)17-12(18)7-4-10(14)11(15)16-6-7/h1-6H,(H,17,18).
What are the key properties of N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide?
N-(3-bromophenyl)-5,6-dichloropyridine-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-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 2095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).