2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

C14H10BrClFN3 — CID 107610370

IUPAC2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cnn3ccccc23)c(Br)c1
InChIInChI=1S/C14H10BrClFN3/c15-11-5-10(17)6-12(16)14(11)18-7-9-8-19-20-4-2-1-3-13(9)20/h1-6,8,18H,7H2
InChIKeyAYESMNZYXPQJSV-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.50
Rot. Bonds3

About 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 107610370) has the molecular formula C14H10BrClFN3 and a molecular weight of 354.61 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID107610370
Molecular FormulaC14H10BrClFN3
Molecular Weight354.61 g/mol
Exact Mass352.97
IUPAC Name2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cnn3ccccc23)c(Br)c1
InChIInChI=1S/C14H10BrClFN3/c15-11-5-10(17)6-12(16)14(11)18-7-9-8-19-20-4-2-1-3-13(9)20/h1-6,8,18H,7H2
InChIKeyAYESMNZYXPQJSV-UHFFFAOYSA-N
XLogP4.50
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline 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 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 107610370) is 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is Fc1cc(Cl)c(NCc2cnn3ccccc23)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is AYESMNZYXPQJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3/c15-11-5-10(17)6-12(16)14(11)18-7-9-8-19-20-4-2-1-3-13(9)20/h1-6,8,18H,7H2.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 354.61 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 107610370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).