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

C9H6ClF6NO2 — CID 134671793

IUPAC[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(OC(F)(F)F)ncc(CCl)c1C(F)(F)F
InChIInChI=1S/C9H6ClF6NO2/c10-1-4-2-17-7(19-9(14,15)16)5(3-18)6(4)8(11,12)13/h2,18H,1,3H2
InChIKeyRJUCLZMEALEZEB-UHFFFAOYSA-N
MW309.59 g/mol
LogP3.23
Rot. Bonds3

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

[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 134671793) has the molecular formula C9H6ClF6NO2 and a molecular weight of 309.59 g/mol. Its IUPAC name is [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID134671793
Molecular FormulaC9H6ClF6NO2
Molecular Weight309.59 g/mol
Exact Mass309.00
IUPAC Name[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(OC(F)(F)F)ncc(CCl)c1C(F)(F)F
InChIInChI=1S/C9H6ClF6NO2/c10-1-4-2-17-7(19-9(14,15)16)5(3-18)6(4)8(11,12)13/h2,18H,1,3H2
InChIKeyRJUCLZMEALEZEB-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

[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063
methyl 2-[5-(chloromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134673172
methyl 5-(chloromethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134668049
2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111284
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134664983
[5-(bromomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134661940
2-[5-(bromomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134670808
5-(chloromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134671813
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134658888
2-[5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667453
[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130113258

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol (CID 134671793) is [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol is OCc1c(OC(F)(F)F)ncc(CCl)c1C(F)(F)F.
What is the InChIKey of [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is RJUCLZMEALEZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF6NO2/c10-1-4-2-17-7(19-9(14,15)16)5(3-18)6(4)8(11,12)13/h2,18H,1,3H2.
What are the key properties of [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol?
[5-(chloromethyl)-2-(trifluoromethoxy)-4-(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 [5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 134671793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).