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

C8H5F5INO2 — CID 134670100

IUPAC[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-7(10)3-1-15-4(2-16)6(5(3)14)17-8(11,12)13/h1,7,16H,2H2
InChIKeyJIYGMKSJCRHDCV-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.01
Rot. Bonds3

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

[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134670100) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134670100
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-7(10)3-1-15-4(2-16)6(5(3)14)17-8(11,12)13/h1,7,16H,2H2
InChIKeyJIYGMKSJCRHDCV-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.03
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
CID 130112860
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130112949
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378
methyl 5-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661548
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134670100) is [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol is OCc1ncc(C(F)F)c(I)c1OC(F)(F)F.
What is the InChIKey of [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is JIYGMKSJCRHDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c9-7(10)3-1-15-4(2-16)6(5(3)14)17-8(11,12)13/h1,7,16H,2H2.
What are the key properties of [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 369.03 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134670100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).