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

C12H6F2N2O — CID 113269432

IUPAC3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H6F2N2O/c13-9-1-2-11(10(14)5-9)17-12-7-16-4-3-8(12)6-15/h1-5,7H
InChIKeyILTJXQHXMHSSMY-UHFFFAOYSA-N
MW232.19 g/mol
LogP3.02
Rot. Bonds2

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

3-(2,4-difluorophenoxy)pyridine-4-carbonitrile (PubChem CID 113269432) has the molecular formula C12H6F2N2O and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
PubChem CID113269432
Molecular FormulaC12H6F2N2O
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H6F2N2O/c13-9-1-2-11(10(14)5-9)17-12-7-16-4-3-8(12)6-15/h1-5,7H
InChIKeyILTJXQHXMHSSMY-UHFFFAOYSA-N
XLogP3.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
4-(2,4-difluorophenoxy)pyridin-3-amine
CID 28890071
3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
CID 114287961
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
CID 114416641
3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
CID 113458316
3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile
CID 103011480
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
CID 114287950
3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114287868
3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile
CID 72942452
3-bromo-4-(2,4-difluorophenoxy)benzonitrile
CID 82798545

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile (CID 113269432) is 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile is N#Cc1ccncc1Oc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile?
The InChIKey is ILTJXQHXMHSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O/c13-9-1-2-11(10(14)5-9)17-12-7-16-4-3-8(12)6-15/h1-5,7H.
What are the key properties of 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile?
3-(2,4-difluorophenoxy)pyridine-4-carbonitrile has a molecular weight of 232.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 113269432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).