4-(2,2-difluoroethoxy)pyridine-2-carbonitrile

C8H6F2N2O — CID 71758116

IUPAC4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCC(F)F)ccn1
InChIInChI=1S/C8H6F2N2O/c9-8(10)5-13-7-1-2-12-6(3-7)4-11/h1-3,8H,5H2
InChIKeyFHKQQGCEWQZOGR-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.60
Rot. Bonds3

About 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile

4-(2,2-difluoroethoxy)pyridine-2-carbonitrile (PubChem CID 71758116) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
PubChem CID71758116
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCC(F)F)ccn1
InChIInChI=1S/C8H6F2N2O/c9-8(10)5-13-7-1-2-12-6(3-7)4-11/h1-3,8H,5H2
InChIKeyFHKQQGCEWQZOGR-UHFFFAOYSA-N
XLogP1.60
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenoxyethoxy)pyridine-2-carbonitrile
CID 62937276
2-bromo-4-(2,2-difluoroethoxy)benzonitrile
CID 107277090
4-but-3-enoxypyridine-2-carbonitrile
CID 62936255
5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
CID 119054448
5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile
CID 147688494
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726
4-(2-fluorophenoxy)pyridine-2-carbonitrile
CID 62936070
4-cyclobutyloxypyridine-2-carbonitrile
CID 62937286
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750
4-cyclopentyloxypyridine-2-carbonitrile
CID 62936068
4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
CID 102981648
4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
CID 62937631

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile (CID 71758116) is 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile is N#Cc1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The InChIKey is FHKQQGCEWQZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)5-13-7-1-2-12-6(3-7)4-11/h1-3,8H,5H2.
What are the key properties of 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 71758116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).