2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate

C8H8F3NO2 — CID 150597480

IUPAC2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1C=CC=CC1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-14-7(13)12-4-2-1-3-5-12/h1-4H,5-6H2
InChIKeyIRDRDKLIYVQUNN-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.07
Rot. Bonds1

About 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate

2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate (PubChem CID 150597480) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate
PubChem CID150597480
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1C=CC=CC1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-14-7(13)12-4-2-1-3-5-12/h1-4H,5-6H2
InChIKeyIRDRDKLIYVQUNN-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl pyridine-1(2H)-carboxylate
CID 12371301
propan-2-yl 2H-pyridine-1-carboxylate
CID 69643800
2-fluoroethyl 2H-pyridine-1-carboxylate
CID 149889095
1,1,1-Trifluoropropan-2-yl azepine-1-carboxylate
CID 154457535
methyl 3-(trifluoromethyl)-2H-pyridine-1-carboxylate
CID 175885564
2,2,2-Trifluoroethyl azepine-1-carboxylate
CID 87617660
4,4,4-Trifluorobutyl azepine-1-carboxylate
CID 87617953
1-(2,2,2-Trifluoroethoxymethyl)pyridin-2-one
CID 106706311
Fzhinkjawrrfkg-uhfffaoysa-
CID 10678914
butyl 2H-pyridine-1-carboxylate
CID 67412830
ethyl 2H-pyridine-1-carboxylate;dihydrochloride
CID 69183727
prop-2-enyl 2H-pyridine-1-carboxylate
CID 69572553

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate (CID 150597480) is 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate is O=C(OCC(F)(F)F)N1C=CC=CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate?
The InChIKey is IRDRDKLIYVQUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)6-14-7(13)12-4-2-1-3-5-12/h1-4H,5-6H2.
What are the key properties of 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate?
2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate has a molecular weight of 207.15 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2H-pyridine-1-carboxylate is sourced from PubChem (CID 150597480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).