3-chloro-4-pyridin-3-yloxybenzonitrile

C12H7ClN2O — CID 63088061

IUPAC3-chloro-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H7ClN2O/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8H
InChIKeyYUGHLWXVMLUACT-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.40
Rot. Bonds2

About 3-chloro-4-pyridin-3-yloxybenzonitrile

3-chloro-4-pyridin-3-yloxybenzonitrile (PubChem CID 63088061) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 3-chloro-4-pyridin-3-yloxybenzonitrile.

Molecular Properties

Compound Name3-chloro-4-pyridin-3-yloxybenzonitrile
PubChem CID63088061
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name3-chloro-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H7ClN2O/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8H
InChIKeyYUGHLWXVMLUACT-UHFFFAOYSA-N
XLogP3.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-pyridin-3-yloxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-3-yloxybenzonitrile?
The IUPAC name of 3-chloro-4-pyridin-3-yloxybenzonitrile (CID 63088061) is 3-chloro-4-pyridin-3-yloxybenzonitrile.
What is the SMILES notation for 3-chloro-4-pyridin-3-yloxybenzonitrile?
The canonical SMILES for 3-chloro-4-pyridin-3-yloxybenzonitrile is N#Cc1ccc(Oc2cccnc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyridin-3-yloxybenzonitrile?
The InChIKey is YUGHLWXVMLUACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8H.
What are the key properties of 3-chloro-4-pyridin-3-yloxybenzonitrile?
3-chloro-4-pyridin-3-yloxybenzonitrile has a molecular weight of 230.65 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-3-yloxybenzonitrile is sourced from PubChem (CID 63088061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).