1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile

C12H11F3N2O2 — CID 118690361

IUPAC1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1ccn(C(C2CC2)C(F)(F)F)c(=O)c1C#N
InChIInChI=1S/C12H11F3N2O2/c1-19-9-4-5-17(11(18)8(9)6-16)10(7-2-3-7)12(13,14)15/h4-5,7,10H,2-3H2,1H3
InChIKeyYCPNCLVWDKQJCY-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.24
Rot. Bonds3

About 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile

1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile (PubChem CID 118690361) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile
PubChem CID118690361
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1ccn(C(C2CC2)C(F)(F)F)c(=O)c1C#N
InChIInChI=1S/C12H11F3N2O2/c1-19-9-4-5-17(11(18)8(9)6-16)10(7-2-3-7)12(13,14)15/h4-5,7,10H,2-3H2,1H3
InChIKeyYCPNCLVWDKQJCY-UHFFFAOYSA-N
XLogP2.24
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile (CID 118690361) is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile is COc1ccn(C(C2CC2)C(F)(F)F)c(=O)c1C#N.
What is the InChIKey of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The InChIKey is YCPNCLVWDKQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-19-9-4-5-17(11(18)8(9)6-16)10(7-2-3-7)12(13,14)15/h4-5,7,10H,2-3H2,1H3.
What are the key properties of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile has a molecular weight of 272.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methoxy-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 118690361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).