3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile

C8H6F2N2O — CID 130982446

IUPAC3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)c(OC(F)F)c1
InChIInChI=1S/C8H6F2N2O/c1-5-2-7(13-8(9)10)6(3-11)12-4-5/h2,4,8H,1H3
InChIKeyCYKAQPFJUFTDBR-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.86
Rot. Bonds2

About 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile

3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile (PubChem CID 130982446) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
PubChem CID130982446
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)c(OC(F)F)c1
InChIInChI=1S/C8H6F2N2O/c1-5-2-7(13-8(9)10)6(3-11)12-4-5/h2,4,8H,1H3
InChIKeyCYKAQPFJUFTDBR-UHFFFAOYSA-N
XLogP1.86
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile (CID 130982446) is 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile is Cc1cnc(C#N)c(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile?
The InChIKey is CYKAQPFJUFTDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-5-2-7(13-8(9)10)6(3-11)12-4-5/h2,4,8H,1H3.
What are the key properties of 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile?
3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130982446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).