4-pyridin-2-ylindol-1-amine

C13H11N3 — CID 152780925

IUPAC4-pyridin-2-ylindol-1-amine
SMILESNn1ccc2c(-c3ccccn3)cccc21
InChIInChI=1S/C13H11N3/c14-16-9-7-11-10(4-3-6-13(11)16)12-5-1-2-8-15-12/h1-9H,14H2
InChIKeyIGUNHJYLKGTIKO-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.42
Rot. Bonds1

About 4-pyridin-2-ylindol-1-amine

4-pyridin-2-ylindol-1-amine (PubChem CID 152780925) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-pyridin-2-ylindol-1-amine.

Molecular Properties

Compound Name4-pyridin-2-ylindol-1-amine
PubChem CID152780925
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-pyridin-2-ylindol-1-amine
SMILESNn1ccc2c(-c3ccccn3)cccc21
InChIInChI=1S/C13H11N3/c14-16-9-7-11-10(4-3-6-13(11)16)12-5-1-2-8-15-12/h1-9H,14H2
InChIKeyIGUNHJYLKGTIKO-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylindol-1-amine?
The IUPAC name of 4-pyridin-2-ylindol-1-amine (CID 152780925) is 4-pyridin-2-ylindol-1-amine.
What is the SMILES notation for 4-pyridin-2-ylindol-1-amine?
The canonical SMILES for 4-pyridin-2-ylindol-1-amine is Nn1ccc2c(-c3ccccn3)cccc21.
What is the InChIKey of 4-pyridin-2-ylindol-1-amine?
The InChIKey is IGUNHJYLKGTIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-16-9-7-11-10(4-3-6-13(11)16)12-5-1-2-8-15-12/h1-9H,14H2.
What are the key properties of 4-pyridin-2-ylindol-1-amine?
4-pyridin-2-ylindol-1-amine has a molecular weight of 209.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylindol-1-amine is sourced from PubChem (CID 152780925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).