4-(1,3-benzodioxol-5-yl)-2-phenylpyridine

C18H13NO2 — CID 11623230

IUPAC4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)OCO4)ccn2)cc1
InChIInChI=1S/C18H13NO2/c1-2-4-13(5-3-1)16-10-15(8-9-19-16)14-6-7-17-18(11-14)21-12-20-17/h1-11H,12H2
InChIKeyROWBQJRPTDLFEG-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.14
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine

4-(1,3-benzodioxol-5-yl)-2-phenylpyridine (PubChem CID 11623230) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
PubChem CID11623230
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)OCO4)ccn2)cc1
InChIInChI=1S/C18H13NO2/c1-2-4-13(5-3-1)16-10-15(8-9-19-16)14-6-7-17-18(11-14)21-12-20-17/h1-11H,12H2
InChIKeyROWBQJRPTDLFEG-UHFFFAOYSA-N
XLogP4.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine (CID 11623230) is 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine is c1ccc(-c2cc(-c3ccc4c(c3)OCO4)ccn2)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine?
The InChIKey is ROWBQJRPTDLFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-2-4-13(5-3-1)16-10-15(8-9-19-16)14-6-7-17-18(11-14)21-12-20-17/h1-11H,12H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine?
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine has a molecular weight of 275.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-phenylpyridine is sourced from PubChem (CID 11623230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).