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

C9H8F5NO3 — CID 134681962

IUPAC[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1c(CO)cc(C(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H8F5NO3/c1-17-6-4(3-16)2-5(7(10)11)15-8(6)18-9(12,13)14/h2,7,16H,3H2,1H3
InChIKeyRSBRVBNNXQJPEE-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.42
Rot. Bonds4

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

[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 134681962) has the molecular formula C9H8F5NO3 and a molecular weight of 273.16 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID134681962
Molecular FormulaC9H8F5NO3
Molecular Weight273.16 g/mol
Exact Mass273.04
IUPAC Name[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1c(CO)cc(C(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H8F5NO3/c1-17-6-4(3-16)2-5(7(10)11)15-8(6)18-9(12,13)14/h2,7,16H,3H2,1H3
InChIKeyRSBRVBNNXQJPEE-UHFFFAOYSA-N
XLogP2.42
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
CID 134678577
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
ethyl 2-[6-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677365
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664307
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
ethyl 2-[4-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682292
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
4-(hydroxymethyl)-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 134665683
4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol (CID 134681962) is [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol is COc1c(CO)cc(C(F)F)nc1OC(F)(F)F.
What is the InChIKey of [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is RSBRVBNNXQJPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO3/c1-17-6-4(3-16)2-5(7(10)11)15-8(6)18-9(12,13)14/h2,7,16H,3H2,1H3.
What are the key properties of [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol has a molecular weight of 273.16 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 134681962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).