2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile

C10H10F2N2O — CID 118842860

IUPAC2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
SMILESCOc1c(C)cc(CC#N)nc1C(F)F
InChIInChI=1S/C10H10F2N2O/c1-6-5-7(3-4-13)14-8(10(11)12)9(6)15-2/h5,10H,3H2,1-2H3
InChIKeyZRTITDBFLWGRCD-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.40
Rot. Bonds3

About 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile

2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile (PubChem CID 118842860) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
PubChem CID118842860
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
SMILESCOc1c(C)cc(CC#N)nc1C(F)F
InChIInChI=1S/C10H10F2N2O/c1-6-5-7(3-4-13)14-8(10(11)12)9(6)15-2/h5,10H,3H2,1-2H3
InChIKeyZRTITDBFLWGRCD-UHFFFAOYSA-N
XLogP2.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-(difluoromethyl)-3-methoxy-4,6-dimethylpyridine
CID 130101193
2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130073242
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
6-(difluoromethyl)-5-methoxy-4-methylpyridin-2-amine
CID 130105821
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
2-[4-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118800127
2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134670584
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
CID 118839081

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile (CID 118842860) is 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile is COc1c(C)cc(CC#N)nc1C(F)F.
What is the InChIKey of 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile?
The InChIKey is ZRTITDBFLWGRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-6-5-7(3-4-13)14-8(10(11)12)9(6)15-2/h5,10H,3H2,1-2H3.
What are the key properties of 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile?
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile has a molecular weight of 212.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118842860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).