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

C8H6F2N2O — CID 131192874

IUPAC2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(OC(F)F)c(C#N)c1
InChIInChI=1S/C8H6F2N2O/c1-5-2-6(3-11)7(12-4-5)13-8(9)10/h2,4,8H,1H3
InChIKeyHZNBXGNTXJYGNJ-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.86
Rot. Bonds2

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

2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile (PubChem CID 131192874) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile
PubChem CID131192874
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(OC(F)F)c(C#N)c1
InChIInChI=1S/C8H6F2N2O/c1-5-2-6(3-11)7(12-4-5)13-8(9)10/h2,4,8H,1H3
InChIKeyHZNBXGNTXJYGNJ-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)-5-methylpyridine-2-carbonitrile
CID 130982446
3-amino-2-(difluoromethoxy)-5-methylbenzonitrile
CID 171013263
5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile
CID 130699081
5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
CID 66276281
2-[5-[5-chloro-2-(difluoromethoxy)-3-pyridinyl]-4-methyl-1,2,4-triazol-3-yl]benzonitrile
CID 171547910
5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile
CID 76848523
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile
CID 60921731
1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 142491629
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
CID 130775319
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile (CID 131192874) is 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile is Cc1cnc(OC(F)F)c(C#N)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile?
The InChIKey is HZNBXGNTXJYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-5-2-6(3-11)7(12-4-5)13-8(9)10/h2,4,8H,1H3.
What are the key properties of 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile?
2-(difluoromethoxy)-5-methylpyridine-3-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 2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 131192874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).