[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol

C9H6ClF6NO2 — CID 118849345

IUPAC[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)c(CCl)nc1OC(F)(F)F
InChIInChI=1S/C9H6ClF6NO2/c10-2-6-5(8(11,12)13)1-4(3-18)7(17-6)19-9(14,15)16/h1,18H,2-3H2
InChIKeyUASPZAWDDAVOFG-UHFFFAOYSA-N
MW309.59 g/mol
LogP3.23
Rot. Bonds3

About [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol

[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118849345) has the molecular formula C9H6ClF6NO2 and a molecular weight of 309.59 g/mol. Its IUPAC name is [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118849345
Molecular FormulaC9H6ClF6NO2
Molecular Weight309.59 g/mol
Exact Mass309.00
IUPAC Name[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)c(CCl)nc1OC(F)(F)F
InChIInChI=1S/C9H6ClF6NO2/c10-2-6-5(8(11,12)13)1-4(3-18)7(17-6)19-9(14,15)16/h1,18H,2-3H2
InChIKeyUASPZAWDDAVOFG-UHFFFAOYSA-N
XLogP3.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118803901
6-(aminomethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-3-ol
CID 134680204
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134681912
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089838
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126
2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112945
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
5-(chloromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681159
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
2-[5-(chloromethyl)-6-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134665410
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol (CID 118849345) is [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol is OCc1cc(C(F)(F)F)c(CCl)nc1OC(F)(F)F.
What is the InChIKey of [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is UASPZAWDDAVOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF6NO2/c10-2-6-5(8(11,12)13)1-4(3-18)7(17-6)19-9(14,15)16/h1,18H,2-3H2.
What are the key properties of [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol?
[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 309.59 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118849345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).