2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile

C12H6Cl2N2O — CID 514885

IUPAC2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2N2O/c13-10-4-3-9(6-11(10)14)17-12-8(7-15)2-1-5-16-12/h1-6H
InChIKeyXYVUJRFTULRGGP-UHFFFAOYSA-N
MW265.10 g/mol
LogP4.05
Rot. Bonds2

About 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile

2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile (PubChem CID 514885) has the molecular formula C12H6Cl2N2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
PubChem CID514885
Molecular FormulaC12H6Cl2N2O
Molecular Weight265.10 g/mol
Exact Mass263.99
IUPAC Name2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2N2O/c13-10-4-3-9(6-11(10)14)17-12-8(7-15)2-1-5-16-12/h1-6H
InChIKeyXYVUJRFTULRGGP-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 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile (CID 514885) is 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
The InChIKey is XYVUJRFTULRGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O/c13-10-4-3-9(6-11(10)14)17-12-8(7-15)2-1-5-16-12/h1-6H.
What are the key properties of 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile?
2-(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 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 514885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).