4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile

C8H6F3N2O- — CID 143808997

IUPAC4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile
SMILESN#CC1C=C(C(O)C(F)(F)F)C=C[N-]1
InChIInChI=1S/C8H6F3N2O/c9-8(10,11)7(14)5-1-2-13-6(3-5)4-12/h1-3,6-7,14H/q-1
InChIKeyYHBPIDZRTZQTPI-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.63
Rot. Bonds1

About 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile

4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile (PubChem CID 143808997) has the molecular formula C8H6F3N2O- and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile
PubChem CID143808997
Molecular FormulaC8H6F3N2O-
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile
SMILESN#CC1C=C(C(O)C(F)(F)F)C=C[N-]1
InChIInChI=1S/C8H6F3N2O/c9-8(10,11)7(14)5-1-2-13-6(3-5)4-12/h1-3,6-7,14H/q-1
InChIKeyYHBPIDZRTZQTPI-UHFFFAOYSA-N
XLogP1.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-Trifluoro-1-hydroxyethyl)-1,2-dihydropyridine-2-carbonitrile
CID 143808998
1-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridine-2-carbonitrile
CID 162586390

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile?
The IUPAC name of 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile (CID 143808997) is 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile?
The canonical SMILES for 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile is N#CC1C=C(C(O)C(F)(F)F)C=C[N-]1.
What is the InChIKey of 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile?
The InChIKey is YHBPIDZRTZQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N2O/c9-8(10,11)7(14)5-1-2-13-6(3-5)4-12/h1-3,6-7,14H/q-1.
What are the key properties of 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile?
4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile has a molecular weight of 203.14 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-hydroxyethyl)-2H-pyridin-1-ide-2-carbonitrile is sourced from PubChem (CID 143808997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).