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

C9H7F3N2O2 — CID 133095823

IUPAC2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1ccnc(CC#N)c1OC(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c1-15-7-3-5-14-6(2-4-13)8(7)16-9(10,11)12/h3,5H,2H2,1H3
InChIKeyJZAQDKYBOCOULM-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.05
Rot. Bonds3

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

2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 133095823) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID133095823
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1ccnc(CC#N)c1OC(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c1-15-7-3-5-14-6(2-4-13)8(7)16-9(10,11)12/h3,5H,2H2,1H3
InChIKeyJZAQDKYBOCOULM-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

[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814252
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095482
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 130046963
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 133094891
2-[3-methoxy-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134668919
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134682248
2-[4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095686
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 133095823) is 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile is COc1ccnc(CC#N)c1OC(F)(F)F.
What is the InChIKey of 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is JZAQDKYBOCOULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-15-7-3-5-14-6(2-4-13)8(7)16-9(10,11)12/h3,5H,2H2,1H3.
What are the key properties of 2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[4-methoxy-3-(trifluoromethoxy)-2-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-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133095823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).