3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile

C8H6F2N2O — CID 131214030

IUPAC3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile
SMILESCc1cncc(OC(F)F)c1C#N
InChIInChI=1S/C8H6F2N2O/c1-5-3-12-4-7(6(5)2-11)13-8(9)10/h3-4,8H,1H3
InChIKeyFVDHPVIIHNXOKH-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.86
Rot. Bonds2

About 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile

3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile (PubChem CID 131214030) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile
PubChem CID131214030
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile
SMILESCc1cncc(OC(F)F)c1C#N
InChIInChI=1S/C8H6F2N2O/c1-5-3-12-4-7(6(5)2-11)13-8(9)10/h3-4,8H,1H3
InChIKeyFVDHPVIIHNXOKH-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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Related Compounds

3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
3-bromo-5-(difluoromethoxy)-4-methylpyridine
CID 121227905
6-(difluoromethoxy)-3-fluoro-2-methylbenzonitrile
CID 171031844
3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
CID 130982446
3-(difluoromethoxy)-6-methyl-2-nitrobenzonitrile
CID 171032334
5-(difluoromethoxy)pyridine-3-carbonitrile
CID 46311553
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
2-acetyl-6-(difluoromethoxy)-4-methylbenzonitrile
CID 131277260
2-(difluoromethoxy)-6-(iodomethylidene-λ3-iodanyl)-4-methylbenzonitrile
CID 162595610
2-(difluoromethoxy)-7-fluoro-4-methyl-1-benzothiophene-3-carbonitrile;ethane
CID 170772137
2-amino-4-chloro-6-(difluoromethoxy)benzonitrile
CID 171011900
3-bromo-5-methoxypyridine-4-carbonitrile
CID 119091286

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile (CID 131214030) is 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile is Cc1cncc(OC(F)F)c1C#N.
What is the InChIKey of 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile?
The InChIKey is FVDHPVIIHNXOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-5-3-12-4-7(6(5)2-11)13-8(9)10/h3-4,8H,1H3.
What are the key properties of 3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile?
3-(difluoromethoxy)-5-methylpyridine-4-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-4-carbonitrile is sourced from PubChem (CID 131214030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).