2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile

C9H7F3N2O2 — CID 133094978

IUPAC2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESCOc1ncc(OC(F)(F)F)cc1CC#N
InChIInChI=1S/C9H7F3N2O2/c1-15-8-6(2-3-13)4-7(5-14-8)16-9(10,11)12/h4-5H,2H2,1H3
InChIKeyPLDOWYWDKHSONV-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.05
Rot. Bonds3

About 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile

2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 133094978) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID133094978
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESCOc1ncc(OC(F)(F)F)cc1CC#N
InChIInChI=1S/C9H7F3N2O2/c1-15-8-6(2-3-13)4-7(5-14-8)16-9(10,11)12/h4-5H,2H2,1H3
InChIKeyPLDOWYWDKHSONV-UHFFFAOYSA-N
XLogP2.05
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
2-[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666922
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
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-[5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134672104
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
2-[2-methoxy-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666404
2-[5-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134678583
2-(2-bromo-5-methoxy-3-pyridinyl)acetonitrile
CID 118993932
2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666342

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 133094978) is 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile is COc1ncc(OC(F)(F)F)cc1CC#N.
What is the InChIKey of 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is PLDOWYWDKHSONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-15-8-6(2-3-13)4-7(5-14-8)16-9(10,11)12/h4-5H,2H2,1H3.
What are the key properties of 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 232.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).