5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol

C9H8INO3 — CID 23031109

IUPAC5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol
SMILESO=[N+]([O-])c1cc(I)c(O)c2c1CCC2
InChIInChI=1S/C9H8INO3/c10-7-4-8(11(13)14)5-2-1-3-6(5)9(7)12/h4,12H,1-3H2
InChIKeyQXXNELKHKCEIPC-UHFFFAOYSA-N
MW305.07 g/mol
LogP2.39
Rot. Bonds1

About 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol

5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol (PubChem CID 23031109) has the molecular formula C9H8INO3 and a molecular weight of 305.07 g/mol. Its IUPAC name is 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol
PubChem CID23031109
Molecular FormulaC9H8INO3
Molecular Weight305.07 g/mol
Exact Mass304.95
IUPAC Name5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol
SMILESO=[N+]([O-])c1cc(I)c(O)c2c1CCC2
InChIInChI=1S/C9H8INO3/c10-7-4-8(11(13)14)5-2-1-3-6(5)9(7)12/h4,12H,1-3H2
InChIKeyQXXNELKHKCEIPC-UHFFFAOYSA-N
XLogP2.39
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 154097613
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CID 44558895
4-nitro-5,6,7,8-tetrahydronaphthalene-1-carbonyl chloride
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2,6-diiodo-3-nitrophenol
CID 54168708
2-bromo-4-nitro-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium
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2-hydroxy-5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]benzaldehyde
CID 23031104
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393
4-methyl-5,6,7,8-tetrahydroquinoline;2,4,6-trinitrophenol
CID 71401087
3,5-dinitro-4-pyrrolidin-1-ylbenzoic acid
CID 12005642
2-fluoro-6-iodo-4-nitrophenol
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CID 12800489

Frequently Asked Questions

What is the IUPAC name of 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol (CID 23031109) is 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol is O=[N+]([O-])c1cc(I)c(O)c2c1CCC2.
What is the InChIKey of 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol?
The InChIKey is QXXNELKHKCEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO3/c10-7-4-8(11(13)14)5-2-1-3-6(5)9(7)12/h4,12H,1-3H2.
What are the key properties of 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol?
5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol has a molecular weight of 305.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 23031109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).