[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine

C14H12FN3 — CID 174276964

IUPAC[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine
SMILESNCc1cnc2c(ccn2-c2ccccc2F)c1
InChIInChI=1S/C14H12FN3/c15-12-3-1-2-4-13(12)18-6-5-11-7-10(8-16)9-17-14(11)18/h1-7,9H,8,16H2
InChIKeyVBOTZDWQWKHZQJ-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.62
Rot. Bonds2

About [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine

[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine (PubChem CID 174276964) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine
PubChem CID174276964
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine
SMILESNCc1cnc2c(ccn2-c2ccccc2F)c1
InChIInChI=1S/C14H12FN3/c15-12-3-1-2-4-13(12)18-6-5-11-7-10(8-16)9-17-14(11)18/h1-7,9H,8,16H2
InChIKeyVBOTZDWQWKHZQJ-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine 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 [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine?
The IUPAC name of [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine (CID 174276964) is [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine.
What is the SMILES notation for [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine?
The canonical SMILES for [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine is NCc1cnc2c(ccn2-c2ccccc2F)c1.
What is the InChIKey of [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine?
The InChIKey is VBOTZDWQWKHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-12-3-1-2-4-13(12)18-6-5-11-7-10(8-16)9-17-14(11)18/h1-7,9H,8,16H2.
What are the key properties of [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine?
[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine has a molecular weight of 241.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine is sourced from PubChem (CID 174276964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).