5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide

C16H10BrCl2N3O — CID 56582460

IUPAC5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1cc(Br)cnc1Cl
InChIInChI=1S/C16H10BrCl2N3O/c17-10-7-12(15(19)20-9-10)16(23)21-13-4-3-11(18)8-14(13)22-5-1-2-6-22/h1-9H,(H,21,23)
InChIKeyIFJOLCQISVLDGG-UHFFFAOYSA-N
MW411.09 g/mol
LogP5.19
Rot. Bonds3

About 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 56582460) has the molecular formula C16H10BrCl2N3O and a molecular weight of 411.09 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
PubChem CID56582460
Molecular FormulaC16H10BrCl2N3O
Molecular Weight411.09 g/mol
Exact Mass408.94
IUPAC Name5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1cc(Br)cnc1Cl
InChIInChI=1S/C16H10BrCl2N3O/c17-10-7-12(15(19)20-9-10)16(23)21-13-4-3-11(18)8-14(13)22-5-1-2-6-22/h1-9H,(H,21,23)
InChIKeyIFJOLCQISVLDGG-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.09
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
CID 56530341
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide
CID 56530750
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide
CID 56535981
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
CID 56530719
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62001024
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
CID 82818718
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 80709517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide (CID 56582460) is 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is IFJOLCQISVLDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N3O/c17-10-7-12(15(19)20-9-10)16(23)21-13-4-3-11(18)8-14(13)22-5-1-2-6-22/h1-9H,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 411.09 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 56582460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).