N-(4-bromophenyl)pyridine-3-carboxamide

C12H9BrN2O — CID 279875

IUPACN-(4-bromophenyl)pyridine-3-carboxamide
SMILESC1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)Br
InChIInChI=1S/C12H9BrN2O/c13-10-3-5-11(6-4-10)15-12(16)9-2-1-7-14-8-9/h1-8H,(H,15,16)
InChIKeyZSPAJDNXLIXHAD-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.60
Rot. Bonds2

About N-(4-bromophenyl)pyridine-3-carboxamide

N-(4-bromophenyl)pyridine-3-carboxamide (PubChem CID 279875) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is N-(4-bromophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)pyridine-3-carboxamide
PubChem CID279875
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC NameN-(4-bromophenyl)pyridine-3-carboxamide
SMILESC1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)Br
InChIInChI=1S/C12H9BrN2O/c13-10-3-5-11(6-4-10)15-12(16)9-2-1-7-14-8-9/h1-8H,(H,15,16)
InChIKeyZSPAJDNXLIXHAD-UHFFFAOYSA-N
XLogP2.60
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity239

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)pyridine-3-carboxamide (CID 279875) is N-(4-bromophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)pyridine-3-carboxamide is C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)Br.
What is the InChIKey of N-(4-bromophenyl)pyridine-3-carboxamide?
The InChIKey is ZSPAJDNXLIXHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-3-5-11(6-4-10)15-12(16)9-2-1-7-14-8-9/h1-8H,(H,15,16).
What are the key properties of N-(4-bromophenyl)pyridine-3-carboxamide?
N-(4-bromophenyl)pyridine-3-carboxamide has a molecular weight of 277.12 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 279875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).