3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile

C12H6ClFN2O — CID 114287961

IUPAC3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H6ClFN2O/c13-10-5-9(1-2-11(10)14)17-12-7-16-4-3-8(12)6-15/h1-5,7H
InChIKeyXIGDIMFATXGJJC-UHFFFAOYSA-N
MW248.64 g/mol
LogP3.54
Rot. Bonds2

About 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile

3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile (PubChem CID 114287961) has the molecular formula C12H6ClFN2O and a molecular weight of 248.64 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
PubChem CID114287961
Molecular FormulaC12H6ClFN2O
Molecular Weight248.64 g/mol
Exact Mass248.02
IUPAC Name3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H6ClFN2O/c13-10-5-9(1-2-11(10)14)17-12-7-16-4-3-8(12)6-15/h1-5,7H
InChIKeyXIGDIMFATXGJJC-UHFFFAOYSA-N
XLogP3.54
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile (CID 114287961) is 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile is N#Cc1ccncc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile?
The InChIKey is XIGDIMFATXGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O/c13-10-5-9(1-2-11(10)14)17-12-7-16-4-3-8(12)6-15/h1-5,7H.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile?
3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile has a molecular weight of 248.64 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 114287961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).