6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile

C12H6Cl2N2O — CID 514829

IUPAC6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H6Cl2N2O/c13-10-3-2-9(5-11(10)14)17-12-4-1-8(6-15)7-16-12/h1-5,7H
InChIKeyAOANSHKOZLKQQA-UHFFFAOYSA-N
MW265.10 g/mol
LogP4.05
Rot. Bonds2

About 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile

6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile (PubChem CID 514829) has the molecular formula C12H6Cl2N2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
PubChem CID514829
Molecular FormulaC12H6Cl2N2O
Molecular Weight265.10 g/mol
Exact Mass263.99
IUPAC Name6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H6Cl2N2O/c13-10-3-2-9(5-11(10)14)17-12-4-1-8(6-15)7-16-12/h1-5,7H
InChIKeyAOANSHKOZLKQQA-UHFFFAOYSA-N
XLogP4.05
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile (CID 514829) is 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile is N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
The InChIKey is AOANSHKOZLKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O/c13-10-3-2-9(5-11(10)14)17-12-4-1-8(6-15)7-16-12/h1-5,7H.
What are the key properties of 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile has a molecular weight of 265.10 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 514829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).