6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide

C9H7BrFN3O — CID 164594561

IUPAC6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2c(F)c(Br)ccc12
InChIInChI=1S/C9H7BrFN3O/c1-12-9(15)7-6-3-2-5(10)8(11)14(6)4-13-7/h2-4H,1H3,(H,12,15)
InChIKeyXULLKXDOVXODJH-UHFFFAOYSA-N
MW272.08 g/mol
LogP1.60
Rot. Bonds1

About 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide

6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 164594561) has the molecular formula C9H7BrFN3O and a molecular weight of 272.08 g/mol. Its IUPAC name is 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID164594561
Molecular FormulaC9H7BrFN3O
Molecular Weight272.08 g/mol
Exact Mass270.98
IUPAC Name6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2c(F)c(Br)ccc12
InChIInChI=1S/C9H7BrFN3O/c1-12-9(15)7-6-3-2-5(10)8(11)14(6)4-13-7/h2-4H,1H3,(H,12,15)
InChIKeyXULLKXDOVXODJH-UHFFFAOYSA-N
XLogP1.60
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 164594561) is 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1ncn2c(F)c(Br)ccc12.
What is the InChIKey of 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XULLKXDOVXODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O/c1-12-9(15)7-6-3-2-5(10)8(11)14(6)4-13-7/h2-4H,1H3,(H,12,15).
What are the key properties of 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 272.08 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 164594561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).