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

C8H7F3INO3 — CID 134666294

IUPAC[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1c(CO)ncc(OC(F)(F)F)c1I
InChIInChI=1S/C8H7F3INO3/c1-15-7-4(3-14)13-2-5(6(7)12)16-8(9,10)11/h2,14H,3H2,1H3
InChIKeyRZGZORQODBYPPQ-UHFFFAOYSA-N
MW349.05 g/mol
LogP2.09
Rot. Bonds3

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

[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134666294) has the molecular formula C8H7F3INO3 and a molecular weight of 349.05 g/mol. Its IUPAC name is [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134666294
Molecular FormulaC8H7F3INO3
Molecular Weight349.05 g/mol
Exact Mass348.94
IUPAC Name[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1c(CO)ncc(OC(F)(F)F)c1I
InChIInChI=1S/C8H7F3INO3/c1-15-7-4(3-14)13-2-5(6(7)12)16-8(9,10)11/h2,14H,3H2,1H3
InChIKeyRZGZORQODBYPPQ-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

[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113245
2-(bromomethyl)-3-iodo-4-methoxy-5-(trifluoromethoxy)pyridine
CID 118815700
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130112949
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
methyl 2-[2-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681457
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660114

Frequently Asked Questions

What is the IUPAC name of [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134666294) is [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol is COc1c(CO)ncc(OC(F)(F)F)c1I.
What is the InChIKey of [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is RZGZORQODBYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO3/c1-15-7-4(3-14)13-2-5(6(7)12)16-8(9,10)11/h2,14H,3H2,1H3.
What are the key properties of [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol?
[4-iodo-3-methoxy-5-(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 [4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134666294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).