[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

C13H10F3NO2 — CID 24729919

IUPAC[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)19-11-3-1-2-10(6-11)12-5-4-9(8-18)7-17-12/h1-7,18H,8H2
InChIKeyKNLKEAHBJSPWMM-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.14
Rot. Bonds3

About [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (PubChem CID 24729919) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
PubChem CID24729919
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)19-11-3-1-2-10(6-11)12-5-4-9(8-18)7-17-12/h1-7,18H,8H2
InChIKeyKNLKEAHBJSPWMM-UHFFFAOYSA-N
XLogP3.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 175646893
N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
CID 175646894
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
1-[[3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014582
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
[6-(3-nitrophenyl)-3-pyridinyl]methanol
CID 24729921
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
2-methylsulfanyl-6-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914051
3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 164888690

Frequently Asked Questions

What is the IUPAC name of [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (CID 24729919) is [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is OCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1.
What is the InChIKey of [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The InChIKey is KNLKEAHBJSPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)19-11-3-1-2-10(6-11)12-5-4-9(8-18)7-17-12/h1-7,18H,8H2.
What are the key properties of [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol has a molecular weight of 269.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 24729919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).