4-bromopyridine-2-carboxamide

C6H5BrN2O — CID 693291

IUPAC4-bromopyridine-2-carboxamide
SMILESNC(=O)c1cc(Br)ccn1
InChIInChI=1S/C6H5BrN2O/c7-4-1-2-9-5(3-4)6(8)10/h1-3H,(H2,8,10)
InChIKeyHOKMIQUAXGAICH-UHFFFAOYSA-N
MW201.02 g/mol
LogP0.94
Rot. Bonds1

About 4-bromopyridine-2-carboxamide

4-bromopyridine-2-carboxamide (PubChem CID 693291) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is 4-bromopyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromopyridine-2-carboxamide
PubChem CID693291
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC Name4-bromopyridine-2-carboxamide
SMILESNC(=O)c1cc(Br)ccn1
InChIInChI=1S/C6H5BrN2O/c7-4-1-2-9-5(3-4)6(8)10/h1-3H,(H2,8,10)
InChIKeyHOKMIQUAXGAICH-UHFFFAOYSA-N
XLogP0.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromopyridine-2-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 4-bromopyridine-2-carboxamide?
The IUPAC name of 4-bromopyridine-2-carboxamide (CID 693291) is 4-bromopyridine-2-carboxamide.
What is the SMILES notation for 4-bromopyridine-2-carboxamide?
The canonical SMILES for 4-bromopyridine-2-carboxamide is NC(=O)c1cc(Br)ccn1.
What is the InChIKey of 4-bromopyridine-2-carboxamide?
The InChIKey is HOKMIQUAXGAICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O/c7-4-1-2-9-5(3-4)6(8)10/h1-3H,(H2,8,10).
What are the key properties of 4-bromopyridine-2-carboxamide?
4-bromopyridine-2-carboxamide has a molecular weight of 201.02 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine-2-carboxamide is sourced from PubChem (CID 693291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).