6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile

C8H6F2N2O — CID 130095863

IUPAC6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(C(F)F)c1
InChIInChI=1S/C8H6F2N2O/c1-13-6-2-5(4-11)12-7(3-6)8(9)10/h2-3,8H,1H3
InChIKeyJKZITYOMYJZPKU-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.90
Rot. Bonds2

About 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile

6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile (PubChem CID 130095863) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
PubChem CID130095863
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(C(F)F)c1
InChIInChI=1S/C8H6F2N2O/c1-13-6-2-5(4-11)12-7(3-6)8(9)10/h2-3,8H,1H3
InChIKeyJKZITYOMYJZPKU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile (CID 130095863) is 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile is COc1cc(C#N)nc(C(F)F)c1.
What is the InChIKey of 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The InChIKey is JKZITYOMYJZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-13-6-2-5(4-11)12-7(3-6)8(9)10/h2-3,8H,1H3.
What are the key properties of 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 130095863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).