[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol

C9H7F6NO3 — CID 134662303

IUPAC[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCOc1nc(C(F)(F)F)cc(CO)c1OC(F)(F)F
InChIInChI=1S/C9H7F6NO3/c1-18-7-6(19-9(13,14)15)4(3-17)2-5(16-7)8(10,11)12/h2,17H,3H2,1H3
InChIKeyZBINGHCLRPEKFW-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.50
Rot. Bonds3

About [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol

[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 134662303) has the molecular formula C9H7F6NO3 and a molecular weight of 291.15 g/mol. Its IUPAC name is [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID134662303
Molecular FormulaC9H7F6NO3
Molecular Weight291.15 g/mol
Exact Mass291.03
IUPAC Name[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCOc1nc(C(F)(F)F)cc(CO)c1OC(F)(F)F
InChIInChI=1S/C9H7F6NO3/c1-18-7-6(19-9(13,14)15)4(3-17)2-5(16-7)8(10,11)12/h2,17H,3H2,1H3
InChIKeyZBINGHCLRPEKFW-UHFFFAOYSA-N
XLogP2.50
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668178
ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134664641
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134677424
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660114

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 134662303) is [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol is COc1nc(C(F)(F)F)cc(CO)c1OC(F)(F)F.
What is the InChIKey of [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is ZBINGHCLRPEKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO3/c1-18-7-6(19-9(13,14)15)4(3-17)2-5(16-7)8(10,11)12/h2,17H,3H2,1H3.
What are the key properties of [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 291.15 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 134662303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).