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

C9H10F3NO3 — CID 14402961

IUPAC[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCOc1c(OCC(F)(F)F)ccnc1CO
InChIInChI=1S/C9H10F3NO3/c1-15-8-6(4-14)13-3-2-7(8)16-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKeyXYRAJZVBVYFQHC-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.52
Rot. Bonds4

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

[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 14402961) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID14402961
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCOc1c(OCC(F)(F)F)ccnc1CO
InChIInChI=1S/C9H10F3NO3/c1-15-8-6(4-14)13-3-2-7(8)16-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKeyXYRAJZVBVYFQHC-UHFFFAOYSA-N
XLogP1.52
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
4-(Pyridin-2-ylmethoxy)phenol
CID 43143359
2-(Acetoxymethyl)-3-acetoxypyridine
CID 256400
Caerulomycin G
CID 53493586
4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol
CID 10465749
2-{[2-(2-Dimethylaminoethoxy)-3-pyridinyl]oxy}ethanol
CID 11708396
6-Pyridin-3-yloxyhexan-1-ol
CID 13368809
3-Phenoxy-4-pyridinemethanol
CID 14044058
{3-[2-(Tetrahydro-2H-pyran-2-yloxy)ethoxy]pyridin-2-yl}methanol
CID 21106673
2-propoxy-3-Pyridinol
CID 58205978
(4-Methoxy-pyridin-2-yl)-methanol
CID 10820596
5-Methoxy-2-(trifluoromethyl)pyridine
CID 22000196

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 14402961) is [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is COc1c(OCC(F)(F)F)ccnc1CO.
What is the InChIKey of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is XYRAJZVBVYFQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-15-8-6(4-14)13-3-2-7(8)16-5-9(10,11)12/h2-3,14H,4-5H2,1H3.
What are the key properties of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 237.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 14402961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).