[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol

C8H7F3INO3 — CID 134666290

IUPAC[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1nc(CO)cc(OC(F)(F)F)c1I
InChIInChI=1S/C8H7F3INO3/c1-15-7-6(12)5(16-8(9,10)11)2-4(3-14)13-7/h2,14H,3H2,1H3
InChIKeyKBFFTDVQNXFMSS-UHFFFAOYSA-N
MW349.05 g/mol
LogP2.09
Rot. Bonds3

About [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol

[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134666290) has the molecular formula C8H7F3INO3 and a molecular weight of 349.05 g/mol. Its IUPAC name is [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134666290
Molecular FormulaC8H7F3INO3
Molecular Weight349.05 g/mol
Exact Mass348.94
IUPAC Name[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1nc(CO)cc(OC(F)(F)F)c1I
InChIInChI=1S/C8H7F3INO3/c1-15-7-6(12)5(16-8(9,10)11)2-4(3-14)13-7/h2,14H,3H2,1H3
InChIKeyKBFFTDVQNXFMSS-UHFFFAOYSA-N
XLogP2.09
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.05
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134677431
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665913
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
[6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085661
[3-iodo-4-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134664598
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665127
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118827484
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833

Frequently Asked Questions

What is the IUPAC name of [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134666290) is [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol is COc1nc(CO)cc(OC(F)(F)F)c1I.
What is the InChIKey of [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is KBFFTDVQNXFMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO3/c1-15-7-6(12)5(16-8(9,10)11)2-4(3-14)13-7/h2,14H,3H2,1H3.
What are the key properties of [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 349.05 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134666290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).