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

C9H9ClF3NO3 — CID 134681943

IUPAC[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1c(CO)cc(CCl)nc1OC(F)(F)F
InChIInChI=1S/C9H9ClF3NO3/c1-16-7-5(4-15)2-6(3-10)14-8(7)17-9(11,12)13/h2,15H,3-4H2,1H3
InChIKeyWHMWMKXOQKVVPK-UHFFFAOYSA-N
MW271.62 g/mol
LogP2.22
Rot. Bonds4

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

[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 134681943) has the molecular formula C9H9ClF3NO3 and a molecular weight of 271.62 g/mol. Its IUPAC name is [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID134681943
Molecular FormulaC9H9ClF3NO3
Molecular Weight271.62 g/mol
Exact Mass271.02
IUPAC Name[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1c(CO)cc(CCl)nc1OC(F)(F)F
InChIInChI=1S/C9H9ClF3NO3/c1-16-7-5(4-15)2-6(3-10)14-8(7)17-9(11,12)13/h2,15H,3-4H2,1H3
InChIKeyWHMWMKXOQKVVPK-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

[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962
[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134669452
ethyl 2-[6-(fluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662016
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
ethyl 2-[4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682417
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130112786
6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111265
2-[6-(chloromethyl)-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134676110
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol (CID 134681943) is [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol is COc1c(CO)cc(CCl)nc1OC(F)(F)F.
What is the InChIKey of [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is WHMWMKXOQKVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3/c1-16-7-5(4-15)2-6(3-10)14-8(7)17-9(11,12)13/h2,15H,3-4H2,1H3.
What are the key properties of [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-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 [6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 134681943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).