6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine

C15H14FN3 — CID 1477644

IUPAC6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
SMILESFc1cccc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H14FN3/c16-14-6-3-7-15(19-14)17-9-8-11-10-18-13-5-2-1-4-12(11)13/h1-7,10,18H,8-9H2,(H,17,19)
InChIKeyIPXPAKBCBIFKEA-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.36
Rot. Bonds4

About 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine

6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine (PubChem CID 1477644) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
PubChem CID1477644
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
SMILESFc1cccc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H14FN3/c16-14-6-3-7-15(19-14)17-9-8-11-10-18-13-5-2-1-4-12(11)13/h1-7,10,18H,8-9H2,(H,17,19)
InChIKeyIPXPAKBCBIFKEA-UHFFFAOYSA-N
XLogP3.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine 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-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine (CID 1477644) is 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine is Fc1cccc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is IPXPAKBCBIFKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-14-6-3-7-15(19-14)17-9-8-11-10-18-13-5-2-1-4-12(11)13/h1-7,10,18H,8-9H2,(H,17,19).
What are the key properties of 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 255.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 1477644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).