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

C8H6ClF3INO2 — CID 130113258

IUPAC[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(CCl)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3INO2/c9-2-4-1-6(13)14-7(5(4)3-15)16-8(10,11)12/h1,15H,2-3H2
InChIKeyYOCXCHFVNSHIBN-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.82
Rot. Bonds3

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

[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 130113258) has the molecular formula C8H6ClF3INO2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID130113258
Molecular FormulaC8H6ClF3INO2
Molecular Weight367.49 g/mol
Exact Mass366.91
IUPAC Name[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(CCl)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3INO2/c9-2-4-1-6(13)14-7(5(4)3-15)16-8(10,11)12/h1,15H,2-3H2
InChIKeyYOCXCHFVNSHIBN-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134669452
4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 130112811
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118829537
2-[4-(fluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118840435
5-(chloromethyl)-6-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111282
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134677424
[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 134671793
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
5-(chloromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681159
3-(bromomethyl)-6-iodo-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134676564
[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134681809

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 130113258) is [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1c(CCl)cc(I)nc1OC(F)(F)F.
What is the InChIKey of [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is YOCXCHFVNSHIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3INO2/c9-2-4-1-6(13)14-7(5(4)3-15)16-8(10,11)12/h1,15H,2-3H2.
What are the key properties of [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-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 [4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 130113258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).