2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine

C16H14N2O — CID 10171469

IUPAC2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine
SMILESCOc1cccc(-c2ccn(-c3ccccn3)c2)c1
InChIInChI=1S/C16H14N2O/c1-19-15-6-4-5-13(11-15)14-8-10-18(12-14)16-7-2-3-9-17-16/h2-12H,1H3
InChIKeyANGKJXQAPIERSM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.55
Rot. Bonds3

About 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine

2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine (PubChem CID 10171469) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine
PubChem CID10171469
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine
SMILESCOc1cccc(-c2ccn(-c3ccccn3)c2)c1
InChIInChI=1S/C16H14N2O/c1-19-15-6-4-5-13(11-15)14-8-10-18(12-14)16-7-2-3-9-17-16/h2-12H,1H3
InChIKeyANGKJXQAPIERSM-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine?
The IUPAC name of 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine (CID 10171469) is 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine?
The canonical SMILES for 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine is COc1cccc(-c2ccn(-c3ccccn3)c2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine?
The InChIKey is ANGKJXQAPIERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-15-6-4-5-13(11-15)14-8-10-18(12-14)16-7-2-3-9-17-16/h2-12H,1H3.
What are the key properties of 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine?
2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine has a molecular weight of 250.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine is sourced from PubChem (CID 10171469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).