2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile

C10H7F5N2O — CID 133098420

IUPAC2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESCOc1nc(C(F)F)c(CC#N)cc1C(F)(F)F
InChIInChI=1S/C10H7F5N2O/c1-18-9-6(10(13,14)15)4-5(2-3-16)7(17-9)8(11)12/h4,8H,2H2,1H3
InChIKeyXJGUERYCXWOXRS-UHFFFAOYSA-N
MW266.17 g/mol
LogP3.11
Rot. Bonds3

About 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile

2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 133098420) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID133098420
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESCOc1nc(C(F)F)c(CC#N)cc1C(F)(F)F
InChIInChI=1S/C10H7F5N2O/c1-18-9-6(10(13,14)15)4-5(2-3-16)7(17-9)8(11)12/h4,8H,2H2,1H3
InChIKeyXJGUERYCXWOXRS-UHFFFAOYSA-N
XLogP3.11
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 133099889
2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820546
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
2-[3-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133098584
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 133098420) is 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile is COc1nc(C(F)F)c(CC#N)cc1C(F)(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is XJGUERYCXWOXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c1-18-9-6(10(13,14)15)4-5(2-3-16)7(17-9)8(11)12/h4,8H,2H2,1H3.
What are the key properties of 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 266.17 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133098420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).