6-bromo-3-cyclopropylpyridine-2-carboxamide

C9H9BrN2O — CID 146404751

IUPAC6-bromo-3-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)c1nc(Br)ccc1C1CC1
InChIInChI=1S/C9H9BrN2O/c10-7-4-3-6(5-1-2-5)8(12-7)9(11)13/h3-5H,1-2H2,(H2,11,13)
InChIKeyFYOFCDANBQRKFV-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.82
Rot. Bonds2

About 6-bromo-3-cyclopropylpyridine-2-carboxamide

6-bromo-3-cyclopropylpyridine-2-carboxamide (PubChem CID 146404751) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 6-bromo-3-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3-cyclopropylpyridine-2-carboxamide
PubChem CID146404751
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name6-bromo-3-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)c1nc(Br)ccc1C1CC1
InChIInChI=1S/C9H9BrN2O/c10-7-4-3-6(5-1-2-5)8(12-7)9(11)13/h3-5H,1-2H2,(H2,11,13)
InChIKeyFYOFCDANBQRKFV-UHFFFAOYSA-N
XLogP1.82
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-3-cyclopropylpyridine-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 6-bromo-3-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-3-cyclopropylpyridine-2-carboxamide (CID 146404751) is 6-bromo-3-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-3-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-3-cyclopropylpyridine-2-carboxamide is NC(=O)c1nc(Br)ccc1C1CC1.
What is the InChIKey of 6-bromo-3-cyclopropylpyridine-2-carboxamide?
The InChIKey is FYOFCDANBQRKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-4-3-6(5-1-2-5)8(12-7)9(11)13/h3-5H,1-2H2,(H2,11,13).
What are the key properties of 6-bromo-3-cyclopropylpyridine-2-carboxamide?
6-bromo-3-cyclopropylpyridine-2-carboxamide has a molecular weight of 241.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 146404751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).