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

C9H7ClF5NO2 — CID 118855287

IUPAC[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(CCl)ncc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7ClF5NO2/c10-1-6-5(3-17)7(18-9(13,14)15)4(2-16-6)8(11)12/h2,8,17H,1,3H2
InChIKeyAQOOVZRNTFOEBT-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.15
Rot. Bonds4

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

[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 118855287) has the molecular formula C9H7ClF5NO2 and a molecular weight of 291.60 g/mol. Its IUPAC name is [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID118855287
Molecular FormulaC9H7ClF5NO2
Molecular Weight291.60 g/mol
Exact Mass291.01
IUPAC Name[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(CCl)ncc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7ClF5NO2/c10-1-6-5(3-17)7(18-9(13,14)15)4(2-16-6)8(11)12/h2,8,17H,1,3H2
InChIKeyAQOOVZRNTFOEBT-UHFFFAOYSA-N
XLogP3.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 53.15
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

2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine
CID 119020474
6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 130112453
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
methyl 2-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134668978
2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682144
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol (CID 118855287) is [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1c(CCl)ncc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is AQOOVZRNTFOEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF5NO2/c10-1-6-5(3-17)7(18-9(13,14)15)4(2-16-6)8(11)12/h2,8,17H,1,3H2.
What are the key properties of [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 291.60 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 118855287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).