3-bromopyridine-4-carboxamide;hydrochloride

C6H6BrClN2O — CID 169006653

IUPAC3-bromopyridine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccncc1Br
InChIInChI=1S/C6H5BrN2O.ClH/c7-5-3-9-2-1-4(5)6(8)10;/h1-3H,(H2,8,10);1H
InChIKeyUDYDJBYNROHGEE-UHFFFAOYSA-N
MW237.48 g/mol
LogP1.36
Rot. Bonds1

About 3-bromopyridine-4-carboxamide;hydrochloride

3-bromopyridine-4-carboxamide;hydrochloride (PubChem CID 169006653) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 3-bromopyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromopyridine-4-carboxamide;hydrochloride
PubChem CID169006653
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name3-bromopyridine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccncc1Br
InChIInChI=1S/C6H5BrN2O.ClH/c7-5-3-9-2-1-4(5)6(8)10;/h1-3H,(H2,8,10);1H
InChIKeyUDYDJBYNROHGEE-UHFFFAOYSA-N
XLogP1.36
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromopyridine-4-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
(3-bromo-4-pyridinyl)-phenylmethanone
CID 102419732
1-(3-bromo-4-pyridinyl)-2-methylprop-2-en-1-one
CID 131048944
2-bromobenzamide;hydrochloride
CID 68911907
3-cyanopyridine-4-carboxamide
CID 68581074
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
3-(carbamothioylamino)pyridine-4-carboxamide
CID 163269084
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
4-(4-bromophenoxy)pyridine-3-carboxamide
CID 147228091
4-[(E)-2-phenylprop-1-enyl]pyridine-3-carboxamide
CID 13464007
3-(methylaminosulfanyl)pyridine-4-carboxamide
CID 155744567
3-(trifluoromethoxy)pyridine-4-carboxamide
CID 130088898

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine-4-carboxamide;hydrochloride?
The IUPAC name of 3-bromopyridine-4-carboxamide;hydrochloride (CID 169006653) is 3-bromopyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromopyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-bromopyridine-4-carboxamide;hydrochloride is Cl.NC(=O)c1ccncc1Br.
What is the InChIKey of 3-bromopyridine-4-carboxamide;hydrochloride?
The InChIKey is UDYDJBYNROHGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O.ClH/c7-5-3-9-2-1-4(5)6(8)10;/h1-3H,(H2,8,10);1H.
What are the key properties of 3-bromopyridine-4-carboxamide;hydrochloride?
3-bromopyridine-4-carboxamide;hydrochloride has a molecular weight of 237.48 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 169006653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).