[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol

C9H8F5NO3 — CID 118824029

IUPAC[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1cnc(CO)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H8F5NO3/c1-17-5-2-15-4(3-16)7(6(5)8(10)11)18-9(12,13)14/h2,8,16H,3H2,1H3
InChIKeyYUWYPACBHQMQHP-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.42
Rot. Bonds4

About [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol

[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 118824029) has the molecular formula C9H8F5NO3 and a molecular weight of 273.16 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID118824029
Molecular FormulaC9H8F5NO3
Molecular Weight273.16 g/mol
Exact Mass273.04
IUPAC Name[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1cnc(CO)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H8F5NO3/c1-17-5-2-15-4(3-16)7(6(5)8(10)11)18-9(12,13)14/h2,8,16H,3H2,1H3
InChIKeyYUWYPACBHQMQHP-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

[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
ethyl 2-[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668665
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol (CID 118824029) is [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol is COc1cnc(CO)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is YUWYPACBHQMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO3/c1-17-5-2-15-4(3-16)7(6(5)8(10)11)18-9(12,13)14/h2,8,16H,3H2,1H3.
What are the key properties of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-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 [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 118824029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).