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

C7H4F3IN2O4 — CID 134676231

IUPAC[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(OC(F)(F)F)ncc(I)c1CO
InChIInChI=1S/C7H4F3IN2O4/c8-7(9,10)17-6-5(13(15)16)3(2-14)4(11)1-12-6/h1,14H,2H2
InChIKeyOTBBVQRCOPCZHU-UHFFFAOYSA-N
MW364.02 g/mol
LogP1.99
Rot. Bonds3

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

[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 134676231) has the molecular formula C7H4F3IN2O4 and a molecular weight of 364.02 g/mol. Its IUPAC name is [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID134676231
Molecular FormulaC7H4F3IN2O4
Molecular Weight364.02 g/mol
Exact Mass363.92
IUPAC Name[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(OC(F)(F)F)ncc(I)c1CO
InChIInChI=1S/C7H4F3IN2O4/c8-7(9,10)17-6-5(13(15)16)3(2-14)4(11)1-12-6/h1,14H,2H2
InChIKeyOTBBVQRCOPCZHU-UHFFFAOYSA-N
XLogP1.99
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.02
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
CID 134662232
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
ethyl 2-[5-hydroxy-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134666685
ethyl 2-[5-methoxy-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662679
methyl 2-[4-methyl-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668887
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130092556
2-[5-fluoro-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134663173
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507

Frequently Asked Questions

What is the IUPAC name of [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol (CID 134676231) is [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol is O=[N+]([O-])c1c(OC(F)(F)F)ncc(I)c1CO.
What is the InChIKey of [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is OTBBVQRCOPCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O4/c8-7(9,10)17-6-5(13(15)16)3(2-14)4(11)1-12-6/h1,14H,2H2.
What are the key properties of [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol?
[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol has a molecular weight of 364.02 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 134676231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).