2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile

C10H7F5N2O2 — CID 118809409

IUPAC2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESCOc1cnc(C(F)F)c(OC(F)(F)F)c1CC#N
InChIInChI=1S/C10H7F5N2O2/c1-18-6-4-17-7(9(11)12)8(5(6)2-3-16)19-10(13,14)15/h4,9H,2H2,1H3
InChIKeyZNMURGBNJAHDAN-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.99
Rot. Bonds4

About 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile

2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile (PubChem CID 118809409) has the molecular formula C10H7F5N2O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
PubChem CID118809409
Molecular FormulaC10H7F5N2O2
Molecular Weight282.17 g/mol
Exact Mass282.04
IUPAC Name2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESCOc1cnc(C(F)F)c(OC(F)(F)F)c1CC#N
InChIInChI=1S/C10H7F5N2O2/c1-18-6-4-17-7(9(11)12)8(5(6)2-3-16)19-10(13,14)15/h4,9H,2H2,1H3
InChIKeyZNMURGBNJAHDAN-UHFFFAOYSA-N
XLogP2.99
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-[5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134671786
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetonitrile
CID 118843223
2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130106062
2-[5-(chloromethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130091416
2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666342
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile (CID 118809409) is 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile is COc1cnc(C(F)F)c(OC(F)(F)F)c1CC#N.
What is the InChIKey of 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The InChIKey is ZNMURGBNJAHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O2/c1-18-6-4-17-7(9(11)12)8(5(6)2-3-16)19-10(13,14)15/h4,9H,2H2,1H3.
What are the key properties of 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile has a molecular weight of 282.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118809409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).