2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile

C10H7F5N2O2 — CID 118812615

IUPAC2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESCOc1cc(C(F)F)c(CC#N)c(OC(F)(F)F)n1
InChIInChI=1S/C10H7F5N2O2/c1-18-7-4-6(8(11)12)5(2-3-16)9(17-7)19-10(13,14)15/h4,8H,2H2,1H3
InChIKeyXQMIGDCKLLZJQW-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 118812615) has the molecular formula C10H7F5N2O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID118812615
Molecular FormulaC10H7F5N2O2
Molecular Weight282.17 g/mol
Exact Mass282.04
IUPAC Name2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESCOc1cc(C(F)F)c(CC#N)c(OC(F)(F)F)n1
InChIInChI=1S/C10H7F5N2O2/c1-18-7-4-6(8(11)12)5(2-3-16)9(17-7)19-10(13,14)15/h4,8H,2H2,1H3
InChIKeyXQMIGDCKLLZJQW-UHFFFAOYSA-N
XLogP2.99
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119009167
2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130073856
2-[6-(bromomethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681509
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
CID 118801347
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452
2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[6-(difluoromethyl)-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133096242
2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134676120
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 118812615) is 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile is COc1cc(C(F)F)c(CC#N)c(OC(F)(F)F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is XQMIGDCKLLZJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O2/c1-18-7-4-6(8(11)12)5(2-3-16)9(17-7)19-10(13,14)15/h4,8H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 282.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118812615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).