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

C10H7F5N2O — CID 133095106

IUPAC2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C10H7F5N2O/c1-5-4-6(2-3-16)17-9(7(5)8(11)12)18-10(13,14)15/h4,8H,2H2,1H3
InChIKeyZXXMEPWAIYYEDA-UHFFFAOYSA-N
MW266.17 g/mol
LogP3.29
Rot. Bonds3

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

2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 133095106) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID133095106
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C10H7F5N2O/c1-5-4-6(2-3-16)17-9(7(5)8(11)12)18-10(13,14)15/h4,8H,2H2,1H3
InChIKeyZXXMEPWAIYYEDA-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095123
2-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
2-[6-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682362
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134
2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 118822105
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
CID 130081064
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 133095106) is 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is Cc1cc(CC#N)nc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is ZXXMEPWAIYYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c1-5-4-6(2-3-16)17-9(7(5)8(11)12)18-10(13,14)15/h4,8H,2H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 266.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133095106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).