2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide

C13H8BrN3O — CID 103754024

IUPAC2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C13H8BrN3O/c14-12-11(2-1-7-16-12)13(18)17-10-5-3-9(8-15)4-6-10/h1-7H,(H,17,18)
InChIKeyZJGQNGOLIYGBGF-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide

2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 103754024) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
PubChem CID103754024
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C13H8BrN3O/c14-12-11(2-1-7-16-12)13(18)17-10-5-3-9(8-15)4-6-10/h1-7H,(H,17,18)
InChIKeyZJGQNGOLIYGBGF-UHFFFAOYSA-N
XLogP2.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.97
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

2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
CID 103751975
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 145152905
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 103752494
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide (CID 103754024) is 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is ZJGQNGOLIYGBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-12-11(2-1-7-16-12)13(18)17-10-5-3-9(8-15)4-6-10/h1-7H,(H,17,18).
What are the key properties of 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide?
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 302.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103754024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).