[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol

C9H9ClF3NO3 — CID 134669452

IUPAC[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cc(CCl)c(CO)c(OC(F)(F)F)n1
InChIInChI=1S/C9H9ClF3NO3/c1-16-7-2-5(3-10)6(4-15)8(14-7)17-9(11,12)13/h2,15H,3-4H2,1H3
InChIKeyHPDFYRVPUBKMFP-UHFFFAOYSA-N
MW271.62 g/mol
LogP2.22
Rot. Bonds4

About [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol

[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134669452) has the molecular formula C9H9ClF3NO3 and a molecular weight of 271.62 g/mol. Its IUPAC name is [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134669452
Molecular FormulaC9H9ClF3NO3
Molecular Weight271.62 g/mol
Exact Mass271.02
IUPAC Name[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cc(CCl)c(CO)c(OC(F)(F)F)n1
InChIInChI=1S/C9H9ClF3NO3/c1-16-7-2-5(3-10)6(4-15)8(14-7)17-9(11,12)13/h2,15H,3-4H2,1H3
InChIKeyHPDFYRVPUBKMFP-UHFFFAOYSA-N
XLogP2.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.62
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134681809
[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130113258
4-(hydroxymethyl)-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 134665683
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
4-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679479
methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668325
4-chloro-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 118817216
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134681912

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134669452) is [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol is COc1cc(CCl)c(CO)c(OC(F)(F)F)n1.
What is the InChIKey of [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is HPDFYRVPUBKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3/c1-16-7-2-5(3-10)6(4-15)8(14-7)17-9(11,12)13/h2,15H,3-4H2,1H3.
What are the key properties of [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 271.62 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134669452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).