4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine

C14H12ClNO2 — CID 138964605

IUPAC4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine
SMILESClc1ccnc(-c2ccccc2)c1C1OCCO1
InChIInChI=1S/C14H12ClNO2/c15-11-6-7-16-13(10-4-2-1-3-5-10)12(11)14-17-8-9-18-14/h1-7,14H,8-9H2
InChIKeyKIUILUPXPMBEJO-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.45
Rot. Bonds2

About 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine

4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine (PubChem CID 138964605) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine.

Molecular Properties

Compound Name4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine
PubChem CID138964605
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine
SMILESClc1ccnc(-c2ccccc2)c1C1OCCO1
InChIInChI=1S/C14H12ClNO2/c15-11-6-7-16-13(10-4-2-1-3-5-10)12(11)14-17-8-9-18-14/h1-7,14H,8-9H2
InChIKeyKIUILUPXPMBEJO-UHFFFAOYSA-N
XLogP3.45
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine?
The IUPAC name of 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine (CID 138964605) is 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine.
What is the SMILES notation for 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine?
The canonical SMILES for 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine is Clc1ccnc(-c2ccccc2)c1C1OCCO1.
What is the InChIKey of 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine?
The InChIKey is KIUILUPXPMBEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-11-6-7-16-13(10-4-2-1-3-5-10)12(11)14-17-8-9-18-14/h1-7,14H,8-9H2.
What are the key properties of 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine?
4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine has a molecular weight of 261.71 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,3-dioxolan-2-yl)-2-phenylpyridine is sourced from PubChem (CID 138964605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).