4-(1,3-benzodioxol-5-yl)pyridine

C12H9NO2 — CID 15158301

IUPAC4-(1,3-benzodioxol-5-yl)pyridine
SMILESc1cc(-c2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C12H9NO2/c1-2-11-12(15-8-14-11)7-10(1)9-3-5-13-6-4-9/h1-7H,8H2
InChIKeyONMMXNUURRLBRR-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.48
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)pyridine

4-(1,3-benzodioxol-5-yl)pyridine (PubChem CID 15158301) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)pyridine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)pyridine
PubChem CID15158301
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4-(1,3-benzodioxol-5-yl)pyridine
SMILESc1cc(-c2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C12H9NO2/c1-2-11-12(15-8-14-11)7-10(1)9-3-5-13-6-4-9/h1-7H,8H2
InChIKeyONMMXNUURRLBRR-UHFFFAOYSA-N
XLogP2.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.48
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)pyridine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)pyridine (CID 15158301) is 4-(1,3-benzodioxol-5-yl)pyridine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)pyridine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)pyridine is c1cc(-c2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)pyridine?
The InChIKey is ONMMXNUURRLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-2-11-12(15-8-14-11)7-10(1)9-3-5-13-6-4-9/h1-7H,8H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)pyridine?
4-(1,3-benzodioxol-5-yl)pyridine has a molecular weight of 199.21 g/mol, XLogP of 2.48, 1 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)pyridine is sourced from PubChem (CID 15158301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).