2-pyrrol-1-ylpyridin-3-amine

C9H9N3 — CID 13451580

IUPAC2-pyrrol-1-ylpyridin-3-amine
SMILESNc1cccnc1-n1cccc1
InChIInChI=1S/C9H9N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h1-7H,10H2
InChIKeyQCTDPVKLZRURRV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.45
Rot. Bonds1

About 2-pyrrol-1-ylpyridin-3-amine

2-pyrrol-1-ylpyridin-3-amine (PubChem CID 13451580) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-pyrrol-1-ylpyridin-3-amine.

Molecular Properties

Compound Name2-pyrrol-1-ylpyridin-3-amine
PubChem CID13451580
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-pyrrol-1-ylpyridin-3-amine
SMILESNc1cccnc1-n1cccc1
InChIInChI=1S/C9H9N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h1-7H,10H2
InChIKeyQCTDPVKLZRURRV-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylpyridin-3-amine?
The IUPAC name of 2-pyrrol-1-ylpyridin-3-amine (CID 13451580) is 2-pyrrol-1-ylpyridin-3-amine.
What is the SMILES notation for 2-pyrrol-1-ylpyridin-3-amine?
The canonical SMILES for 2-pyrrol-1-ylpyridin-3-amine is Nc1cccnc1-n1cccc1.
What is the InChIKey of 2-pyrrol-1-ylpyridin-3-amine?
The InChIKey is QCTDPVKLZRURRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h1-7H,10H2.
What are the key properties of 2-pyrrol-1-ylpyridin-3-amine?
2-pyrrol-1-ylpyridin-3-amine has a molecular weight of 159.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylpyridin-3-amine is sourced from PubChem (CID 13451580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).