2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate

C11H6F3N2O- — CID 153435357

IUPAC2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate
SMILES[O-]c1ccc(C(F)(F)F)cc1-c1ncccn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)7-2-3-9(17)8(6-7)10-15-4-1-5-16-10/h1-6,17H/p-1
InChIKeyYSIARNLRKHKSKE-UHFFFAOYSA-M
MW239.18 g/mol
LogP2.24
Rot. Bonds1

About 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate

2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate (PubChem CID 153435357) has the molecular formula C11H6F3N2O- and a molecular weight of 239.18 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate.

Molecular Properties

Compound Name2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate
PubChem CID153435357
Molecular FormulaC11H6F3N2O-
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate
SMILES[O-]c1ccc(C(F)(F)F)cc1-c1ncccn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)7-2-3-9(17)8(6-7)10-15-4-1-5-16-10/h1-6,17H/p-1
InChIKeyYSIARNLRKHKSKE-UHFFFAOYSA-M
XLogP2.24
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
CID 54057342
2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 143209795
2-[2-[(E)-prop-1-enyl]-5-(trifluoromethyl)phenyl]pyridine
CID 11964180
3-pyrimidin-2-yl-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 138681877
2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
CID 130181953
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine
CID 90122737
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine
CID 91496892
2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine
CID 102082127
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate?
The IUPAC name of 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate (CID 153435357) is 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate.
What is the SMILES notation for 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate?
The canonical SMILES for 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate is [O-]c1ccc(C(F)(F)F)cc1-c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate?
The InChIKey is YSIARNLRKHKSKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)7-2-3-9(17)8(6-7)10-15-4-1-5-16-10/h1-6,17H/p-1.
What are the key properties of 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate?
2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate has a molecular weight of 239.18 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate is sourced from PubChem (CID 153435357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).