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

C8H7F3INO2 — CID 118827484

IUPAC[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCc1nc(CO)cc(I)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-7(15-8(9,10)11)6(12)2-5(3-14)13-4/h2,14H,3H2,1H3
InChIKeyNXYGGZKSUNVTQZ-UHFFFAOYSA-N
MW333.05 g/mol
LogP2.39
Rot. Bonds2

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

[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 118827484) has the molecular formula C8H7F3INO2 and a molecular weight of 333.05 g/mol. Its IUPAC name is [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID118827484
Molecular FormulaC8H7F3INO2
Molecular Weight333.05 g/mol
Exact Mass332.95
IUPAC Name[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCc1nc(CO)cc(I)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-7(15-8(9,10)11)6(12)2-5(3-14)13-4/h2,14H,3H2,1H3
InChIKeyNXYGGZKSUNVTQZ-UHFFFAOYSA-N
XLogP2.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 52.39
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

4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118816215
methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660206
[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112945
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130112949
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134677431
ethyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679760
ethyl 2-[6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134668835
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665913

Frequently Asked Questions

What is the IUPAC name of [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol (CID 118827484) is [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol is Cc1nc(CO)cc(I)c1OC(F)(F)F.
What is the InChIKey of [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is NXYGGZKSUNVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO2/c1-4-7(15-8(9,10)11)6(12)2-5(3-14)13-4/h2,14H,3H2,1H3.
What are the key properties of [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol?
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 333.05 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 118827484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).