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

C9H7F6NO3 — CID 134669917

IUPAC[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1c(C(F)(F)F)cnc(CO)c1OC(F)(F)F
InChIInChI=1S/C9H7F6NO3/c1-18-6-4(8(10,11)12)2-16-5(3-17)7(6)19-9(13,14)15/h2,17H,3H2,1H3
InChIKeyKWZPAKKWRFKHBE-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.50
Rot. Bonds3

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

[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 134669917) has the molecular formula C9H7F6NO3 and a molecular weight of 291.15 g/mol. Its IUPAC name is [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID134669917
Molecular FormulaC9H7F6NO3
Molecular Weight291.15 g/mol
Exact Mass291.03
IUPAC Name[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1c(C(F)(F)F)cnc(CO)c1OC(F)(F)F
InChIInChI=1S/C9H7F6NO3/c1-18-6-4(8(10,11)12)2-16-5(3-17)7(6)19-9(13,14)15/h2,17H,3H2,1H3
InChIKeyKWZPAKKWRFKHBE-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

2-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134670134
2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134668342
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134665245
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130112949
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
methyl 2-(bromomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134659469
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol (CID 134669917) is [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol is COc1c(C(F)(F)F)cnc(CO)c1OC(F)(F)F.
What is the InChIKey of [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is KWZPAKKWRFKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO3/c1-18-6-4(8(10,11)12)2-16-5(3-17)7(6)19-9(13,14)15/h2,17H,3H2,1H3.
What are the key properties of [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol?
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-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 [4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134669917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).