[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol

C7H5F3INO — CID 130783139

IUPAC[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)(F)F)c(I)c1
InChIInChI=1S/C7H5F3INO/c8-7(9,10)6-5(11)1-4(3-13)2-12-6/h1-2,13H,3H2
InChIKeyYRJHMFQPFQUENT-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.20
Rot. Bonds1

About [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol

[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 130783139) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID130783139
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)(F)F)c(I)c1
InChIInChI=1S/C7H5F3INO/c8-7(9,10)6-5(11)1-4(3-13)2-12-6/h1-2,13H,3H2
InChIKeyYRJHMFQPFQUENT-UHFFFAOYSA-N
XLogP2.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-iodofuro[2,3-b]pyridin-5-yl)methanol
CID 133061609
[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118818553
5-(hydroxymethyl)-2-iodopyridin-3-ol
CID 58053713
[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118989405
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
(5-chloro-6-iodo-3-pyridinyl)methanol
CID 58001734
(6-iodo-5-methyl-3-pyridinyl)methanol
CID 54084953
[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol
CID 67509343
(3,4,5-triiodophenyl)methanol
CID 53401071
[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 130783137
[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 170906648
(6-amino-5-bromo-3-pyridinyl)methanol
CID 67263286

Frequently Asked Questions

What is the IUPAC name of [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 130783139) is [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol is OCc1cnc(C(F)(F)F)c(I)c1.
What is the InChIKey of [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is YRJHMFQPFQUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-7(9,10)6-5(11)1-4(3-13)2-12-6/h1-2,13H,3H2.
What are the key properties of [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol?
[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 303.02 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130783139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).