2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile

C9H8F2N2O — CID 114766974

IUPAC2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(OCC(F)F)n1
InChIInChI=1S/C9H8F2N2O/c1-6-2-7(4-12)3-9(13-6)14-5-8(10)11/h2-3,8H,5H2,1H3
InChIKeyOZGSMNUTRVGRNP-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.91
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile

2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile (PubChem CID 114766974) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
PubChem CID114766974
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(OCC(F)F)n1
InChIInChI=1S/C9H8F2N2O/c1-6-2-7(4-12)3-9(13-6)14-5-8(10)11/h2-3,8H,5H2,1H3
InChIKeyOZGSMNUTRVGRNP-UHFFFAOYSA-N
XLogP1.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethoxy)-6-methylpyridin-4-amine
CID 137377727
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986
2-methyl-6-(3-methylbut-3-enoxy)pyridine-4-carbonitrile
CID 114766998
2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
CID 114766957
2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
CID 158177882
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
2-(furan-2-ylmethoxy)-6-methylpyridine-4-carbonitrile
CID 114766756
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carbonitrile
CID 114766908
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
CID 114766899
5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
CID 119054448

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile (CID 114766974) is 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(OCC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile?
The InChIKey is OZGSMNUTRVGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-6-2-7(4-12)3-9(13-6)14-5-8(10)11/h2-3,8H,5H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile?
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile has a molecular weight of 198.17 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).