(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol

C14H12F3NO2 — CID 106756171

IUPAC(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCc1cc(C(O)c2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C14H12F3NO2/c1-9-8-10(6-7-18-9)13(19)11-4-2-3-5-12(11)20-14(15,16)17/h2-8,13,19H,1H3
InChIKeyGADLGCMWMDRPCM-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.37
Rot. Bonds3

About (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol

(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 106756171) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID106756171
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCc1cc(C(O)c2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C14H12F3NO2/c1-9-8-10(6-7-18-9)13(19)11-4-2-3-5-12(11)20-14(15,16)17/h2-8,13,19H,1H3
InChIKeyGADLGCMWMDRPCM-UHFFFAOYSA-N
XLogP3.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(S)-(2-methyl-4-pyridinyl)-phenylmethanol
CID 122230271
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
(4-fluoro-2-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756177
(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792558
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
(2-ethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975893
furan-2-yl-[2-(trifluoromethoxy)phenyl]methanol
CID 62791171
(3-fluorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756088
(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107947431

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol (CID 106756171) is (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol is Cc1cc(C(O)c2ccccc2OC(F)(F)F)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is GADLGCMWMDRPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-8-10(6-7-18-9)13(19)11-4-2-3-5-12(11)20-14(15,16)17/h2-8,13,19H,1H3.
What are the key properties of (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol?
(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 283.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 106756171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).