[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol

C7H4F3IN2O4 — CID 134678950

IUPAC[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1nc(I)c(CO)cc1OC(F)(F)F
InChIInChI=1S/C7H4F3IN2O4/c8-7(9,10)17-4-1-3(2-14)5(11)12-6(4)13(15)16/h1,14H,2H2
InChIKeyKYBQWWXXKBWJML-UHFFFAOYSA-N
MW364.02 g/mol
LogP1.99
Rot. Bonds3

About [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol

[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134678950) has the molecular formula C7H4F3IN2O4 and a molecular weight of 364.02 g/mol. Its IUPAC name is [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134678950
Molecular FormulaC7H4F3IN2O4
Molecular Weight364.02 g/mol
Exact Mass363.92
IUPAC Name[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1nc(I)c(CO)cc1OC(F)(F)F
InChIInChI=1S/C7H4F3IN2O4/c8-7(9,10)17-4-1-3(2-14)5(11)12-6(4)13(15)16/h1,14H,2H2
InChIKeyKYBQWWXXKBWJML-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134677932
[3-iodo-2-nitro-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681073
ethyl 2-iodo-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666793
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134664731
[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134660139
3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
CID 134678900
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
[4-nitro-2-(trifluoromethoxy)phenyl]methanol
CID 171028715
[2-iodo-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660047
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874

Frequently Asked Questions

What is the IUPAC name of [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134678950) is [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol is O=[N+]([O-])c1nc(I)c(CO)cc1OC(F)(F)F.
What is the InChIKey of [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is KYBQWWXXKBWJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O4/c8-7(9,10)17-4-1-3(2-14)5(11)12-6(4)13(15)16/h1,14H,2H2.
What are the key properties of [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-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 [2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134678950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).