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

C9H7ClF5NO2 — CID 134668063

IUPAC[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESOCc1c(CCl)cnc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7ClF5NO2/c10-1-4-2-16-8(18-9(13,14)15)6(7(11)12)5(4)3-17/h2,7,17H,1,3H2
InChIKeyDBKPSNBCOFWOLU-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.15
Rot. Bonds4

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

[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 134668063) has the molecular formula C9H7ClF5NO2 and a molecular weight of 291.60 g/mol. Its IUPAC name is [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID134668063
Molecular FormulaC9H7ClF5NO2
Molecular Weight291.60 g/mol
Exact Mass291.01
IUPAC Name[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESOCc1c(CCl)cnc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7ClF5NO2/c10-1-4-2-16-8(18-9(13,14)15)6(7(11)12)5(4)3-17/h2,7,17H,1,3H2
InChIKeyDBKPSNBCOFWOLU-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

[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 134671793
[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118806347
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
2-[4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134682629
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134673019
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211
5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134661099
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700
3-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134669064
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111284

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol (CID 134668063) is [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol is OCc1c(CCl)cnc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is DBKPSNBCOFWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF5NO2/c10-1-4-2-16-8(18-9(13,14)15)6(7(11)12)5(4)3-17/h2,7,17H,1,3H2.
What are the key properties of [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-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 [5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 134668063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).