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

C10H7F5N2O — CID 118820546

IUPAC2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESCOc1cc(C(F)(F)F)c(CC#N)nc1C(F)F
InChIInChI=1S/C10H7F5N2O/c1-18-7-4-5(10(13,14)15)6(2-3-16)17-8(7)9(11)12/h4,9H,2H2,1H3
InChIKeySNBOHSWKFRWXHG-UHFFFAOYSA-N
MW266.17 g/mol
LogP3.11
Rot. Bonds3

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

2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 118820546) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID118820546
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESCOc1cc(C(F)(F)F)c(CC#N)nc1C(F)F
InChIInChI=1S/C10H7F5N2O/c1-18-7-4-5(10(13,14)15)6(2-3-16)17-8(7)9(11)12/h4,9H,2H2,1H3
InChIKeySNBOHSWKFRWXHG-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)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118842791
2-[6-(difluoromethyl)-5-methoxy-3-nitro-2-pyridinyl]acetonitrile
CID 118848485
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
2-[5-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133099076
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118826511
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
CID 118843665

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 118820546) is 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile is COc1cc(C(F)(F)F)c(CC#N)nc1C(F)F.
What is the InChIKey of 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is SNBOHSWKFRWXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c1-18-7-4-5(10(13,14)15)6(2-3-16)17-8(7)9(11)12/h4,9H,2H2,1H3.
What are the key properties of 2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-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-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118820546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).