3-(pyrrol-1-ylmethyl)pyridine

C10H10N2 — CID 697607

IUPAC3-(pyrrol-1-ylmethyl)pyridine
SMILESc1cncc(Cn2cccc2)c1
InChIInChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2
InChIKeyPJVWPGGKILHMKW-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.93
Rot. Bonds2

About 3-(pyrrol-1-ylmethyl)pyridine

3-(pyrrol-1-ylmethyl)pyridine (PubChem CID 697607) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(pyrrol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(pyrrol-1-ylmethyl)pyridine
PubChem CID697607
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-(pyrrol-1-ylmethyl)pyridine
SMILESc1cncc(Cn2cccc2)c1
InChIInChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2
InChIKeyPJVWPGGKILHMKW-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrol-1-ylmethyl)pyridine?
The IUPAC name of 3-(pyrrol-1-ylmethyl)pyridine (CID 697607) is 3-(pyrrol-1-ylmethyl)pyridine.
What is the SMILES notation for 3-(pyrrol-1-ylmethyl)pyridine?
The canonical SMILES for 3-(pyrrol-1-ylmethyl)pyridine is c1cncc(Cn2cccc2)c1.
What is the InChIKey of 3-(pyrrol-1-ylmethyl)pyridine?
The InChIKey is PJVWPGGKILHMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2.
What are the key properties of 3-(pyrrol-1-ylmethyl)pyridine?
3-(pyrrol-1-ylmethyl)pyridine has a molecular weight of 158.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrol-1-ylmethyl)pyridine is sourced from PubChem (CID 697607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).