bis[5-(trifluoromethyl)-2-pyridinyl]methanol

C13H8F6N2O — CID 170433737

IUPACbis[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)7-1-3-9(20-5-7)11(22)10-4-2-8(6-21-10)13(17,18)19/h1-6,11,22H
InChIKeyKUZSYLNMACSHDG-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.60
Rot. Bonds2

About bis[5-(trifluoromethyl)-2-pyridinyl]methanol

bis[5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 170433737) has the molecular formula C13H8F6N2O and a molecular weight of 322.21 g/mol. Its IUPAC name is bis[5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Namebis[5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID170433737
Molecular FormulaC13H8F6N2O
Molecular Weight322.21 g/mol
Exact Mass322.05
IUPAC Namebis[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)7-1-3-9(20-5-7)11(22)10-4-2-8(6-21-10)13(17,18)19/h1-6,11,22H
InChIKeyKUZSYLNMACSHDG-UHFFFAOYSA-N
XLogP3.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol
CID 105103565
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
CID 105127410
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081
2-(3-chlorobutan-2-yl)-5-(trifluoromethyl)pyridine
CID 63202926
methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171864461
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 106867992
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 105103094

Frequently Asked Questions

What is the IUPAC name of bis[5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of bis[5-(trifluoromethyl)-2-pyridinyl]methanol (CID 170433737) is bis[5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for bis[5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for bis[5-(trifluoromethyl)-2-pyridinyl]methanol is OC(c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of bis[5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is KUZSYLNMACSHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O/c14-12(15,16)7-1-3-9(20-5-7)11(22)10-4-2-8(6-21-10)13(17,18)19/h1-6,11,22H.
What are the key properties of bis[5-(trifluoromethyl)-2-pyridinyl]methanol?
bis[5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 322.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 170433737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).