4-pyrrol-1-ylpyridin-3-amine

C9H9N3 — CID 63062600

IUPAC4-pyrrol-1-ylpyridin-3-amine
SMILESNc1cnccc1-n1cccc1
InChIInChI=1S/C9H9N3/c10-8-7-11-4-3-9(8)12-5-1-2-6-12/h1-7H,10H2
InChIKeyPSCLDMFQTYWBSV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.45
Rot. Bonds1

About 4-pyrrol-1-ylpyridin-3-amine

4-pyrrol-1-ylpyridin-3-amine (PubChem CID 63062600) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-pyrrol-1-ylpyridin-3-amine.

Molecular Properties

Compound Name4-pyrrol-1-ylpyridin-3-amine
PubChem CID63062600
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-pyrrol-1-ylpyridin-3-amine
SMILESNc1cnccc1-n1cccc1
InChIInChI=1S/C9H9N3/c10-8-7-11-4-3-9(8)12-5-1-2-6-12/h1-7H,10H2
InChIKeyPSCLDMFQTYWBSV-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 4-pyrrol-1-ylpyridin-3-amine?
The IUPAC name of 4-pyrrol-1-ylpyridin-3-amine (CID 63062600) is 4-pyrrol-1-ylpyridin-3-amine.
What is the SMILES notation for 4-pyrrol-1-ylpyridin-3-amine?
The canonical SMILES for 4-pyrrol-1-ylpyridin-3-amine is Nc1cnccc1-n1cccc1.
What is the InChIKey of 4-pyrrol-1-ylpyridin-3-amine?
The InChIKey is PSCLDMFQTYWBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-8-7-11-4-3-9(8)12-5-1-2-6-12/h1-7H,10H2.
What are the key properties of 4-pyrrol-1-ylpyridin-3-amine?
4-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 4-pyrrol-1-ylpyridin-3-amine is sourced from PubChem (CID 63062600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).