3-pyrrol-1-ylpyridine

C9H8N2 — CID 736556

IUPAC3-pyrrol-1-ylpyridine
SMILESc1cncc(-n2cccc2)c1
InChIInChI=1S/C9H8N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-8H
InChIKeySPFWVEKHAJYTGG-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.87
Rot. Bonds1

About 3-pyrrol-1-ylpyridine

3-pyrrol-1-ylpyridine (PubChem CID 736556) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 3-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name3-pyrrol-1-ylpyridine
PubChem CID736556
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name3-pyrrol-1-ylpyridine
SMILESc1cncc(-n2cccc2)c1
InChIInChI=1S/C9H8N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-8H
InChIKeySPFWVEKHAJYTGG-UHFFFAOYSA-N
XLogP1.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylpyridine?
The IUPAC name of 3-pyrrol-1-ylpyridine (CID 736556) is 3-pyrrol-1-ylpyridine.
What is the SMILES notation for 3-pyrrol-1-ylpyridine?
The canonical SMILES for 3-pyrrol-1-ylpyridine is c1cncc(-n2cccc2)c1.
What is the InChIKey of 3-pyrrol-1-ylpyridine?
The InChIKey is SPFWVEKHAJYTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-8H.
What are the key properties of 3-pyrrol-1-ylpyridine?
3-pyrrol-1-ylpyridine has a molecular weight of 144.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylpyridine is sourced from PubChem (CID 736556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).