3-(3-methyl-1-benzofuran-2-yl)pyridine

C14H11NO — CID 122397870

IUPAC3-(3-methyl-1-benzofuran-2-yl)pyridine
SMILESCc1c(-c2cccnc2)oc2ccccc12
InChIInChI=1S/C14H11NO/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9H,1H3
InChIKeyITHZSGWKQGBLBG-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.80
Rot. Bonds1

About 3-(3-methyl-1-benzofuran-2-yl)pyridine

3-(3-methyl-1-benzofuran-2-yl)pyridine (PubChem CID 122397870) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-methyl-1-benzofuran-2-yl)pyridine.

Molecular Properties

Compound Name3-(3-methyl-1-benzofuran-2-yl)pyridine
PubChem CID122397870
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-(3-methyl-1-benzofuran-2-yl)pyridine
SMILESCc1c(-c2cccnc2)oc2ccccc12
InChIInChI=1S/C14H11NO/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9H,1H3
InChIKeyITHZSGWKQGBLBG-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)pyridine?
The IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)pyridine (CID 122397870) is 3-(3-methyl-1-benzofuran-2-yl)pyridine.
What is the SMILES notation for 3-(3-methyl-1-benzofuran-2-yl)pyridine?
The canonical SMILES for 3-(3-methyl-1-benzofuran-2-yl)pyridine is Cc1c(-c2cccnc2)oc2ccccc12.
What is the InChIKey of 3-(3-methyl-1-benzofuran-2-yl)pyridine?
The InChIKey is ITHZSGWKQGBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9H,1H3.
What are the key properties of 3-(3-methyl-1-benzofuran-2-yl)pyridine?
3-(3-methyl-1-benzofuran-2-yl)pyridine has a molecular weight of 209.25 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-benzofuran-2-yl)pyridine is sourced from PubChem (CID 122397870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).