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

C8H6ClF3INO2 — CID 130113245

IUPAC[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1ncc(OC(F)(F)F)c(I)c1CCl
InChIInChI=1S/C8H6ClF3INO2/c9-1-4-5(3-15)14-2-6(7(4)13)16-8(10,11)12/h2,15H,1,3H2
InChIKeyBDSGKZTZPJTUEV-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.82
Rot. Bonds3

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

[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 130113245) has the molecular formula C8H6ClF3INO2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID130113245
Molecular FormulaC8H6ClF3INO2
Molecular Weight367.49 g/mol
Exact Mass366.91
IUPAC Name[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1ncc(OC(F)(F)F)c(I)c1CCl
InChIInChI=1S/C8H6ClF3INO2/c9-1-4-5(3-15)14-2-6(7(4)13)16-8(10,11)12/h2,15H,1,3H2
InChIKeyBDSGKZTZPJTUEV-UHFFFAOYSA-N
XLogP2.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134660056
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
2-[4-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134659116
2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 118810105
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
methyl 2-[2-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681457
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
2-[3-(bromomethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681279
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol (CID 130113245) is [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol is OCc1ncc(OC(F)(F)F)c(I)c1CCl.
What is the InChIKey of [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is BDSGKZTZPJTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3INO2/c9-1-4-5(3-15)14-2-6(7(4)13)16-8(10,11)12/h2,15H,1,3H2.
What are the key properties of [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol?
[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 367.49 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 130113245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).