[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

C9H10F3NO2 — CID 11229760

IUPAC[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCc1c(OCC(F)(F)F)ccnc1CO
InChIInChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKeyGNILTGRCVCMPFJ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.82
Rot. Bonds3

About [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 11229760) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID11229760
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCc1c(OCC(F)(F)F)ccnc1CO
InChIInChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKeyGNILTGRCVCMPFJ-UHFFFAOYSA-N
XLogP1.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 141443121
3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 167756005
methyl 2-[1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]triazol-4-yl]acetate
CID 167911140
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl N'-(4-fluorophenyl)carbamimidothioate
CID 72725670
2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 141359819
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-1H-benzimidazole
CID 169437833
2-[[(1S)-cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 141290682
ethane-1,2-diol;2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
CID 53356984
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
CID 72724760
2-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]ethanol
CID 67041377
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfonyl]-1,3-benzothiazole
CID 169450966
1H-benzimidazol-2-yl-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-phosphanylsulfanium
CID 163985176

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 11229760) is [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is Cc1c(OCC(F)(F)F)ccnc1CO.
What is the InChIKey of [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is GNILTGRCVCMPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3.
What are the key properties of [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 221.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 11229760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).