4-hydroxy-3-nitrobenzaldehyde;iodomethane

C8H8INO4 — CID 174399047

IUPAC4-hydroxy-3-nitrobenzaldehyde;iodomethane
SMILESCI.O=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO4.CH3I/c9-4-5-1-2-7(10)6(3-5)8(11)12;1-2/h1-4,10H;1H3
InChIKeyCMJKHWGZZSJMSU-UHFFFAOYSA-N
MW309.06 g/mol
LogP2.16
Rot. Bonds2

About 4-hydroxy-3-nitrobenzaldehyde;iodomethane

4-hydroxy-3-nitrobenzaldehyde;iodomethane (PubChem CID 174399047) has the molecular formula C8H8INO4 and a molecular weight of 309.06 g/mol. Its IUPAC name is 4-hydroxy-3-nitrobenzaldehyde;iodomethane.

Molecular Properties

Compound Name4-hydroxy-3-nitrobenzaldehyde;iodomethane
PubChem CID174399047
Molecular FormulaC8H8INO4
Molecular Weight309.06 g/mol
Exact Mass308.95
IUPAC Name4-hydroxy-3-nitrobenzaldehyde;iodomethane
SMILESCI.O=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO4.CH3I/c9-4-5-1-2-7(10)6(3-5)8(11)12;1-2/h1-4,10H;1H3
InChIKeyCMJKHWGZZSJMSU-UHFFFAOYSA-N
XLogP2.16
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.06
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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

4-hydroxy-3-nitrobenzaldehyde
CID 18169
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
2-nitro-4-[(E)-prop-1-enyl]phenol
CID 163947820
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
3-bromo-4-hydroxybenzaldehyde;3-bromo-4-hydroxy-5-nitrobenzaldehyde
CID 158318447
4-bromo-3-nitrobenzaldehyde
CID 808792
4-methoxy-3-nitrobenzaldehyde
CID 700608
2-(4-formyl-2-nitrophenyl)acetic acid
CID 22931275
(4Z)-4-[(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 135705246
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602
3-nitro-4-(1-oxopropan-2-yl)benzaldehyde
CID 134639381
4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde
CID 83107477

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitrobenzaldehyde;iodomethane?
The IUPAC name of 4-hydroxy-3-nitrobenzaldehyde;iodomethane (CID 174399047) is 4-hydroxy-3-nitrobenzaldehyde;iodomethane.
What is the SMILES notation for 4-hydroxy-3-nitrobenzaldehyde;iodomethane?
The canonical SMILES for 4-hydroxy-3-nitrobenzaldehyde;iodomethane is CI.O=Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-3-nitrobenzaldehyde;iodomethane?
The InChIKey is CMJKHWGZZSJMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.CH3I/c9-4-5-1-2-7(10)6(3-5)8(11)12;1-2/h1-4,10H;1H3.
What are the key properties of 4-hydroxy-3-nitrobenzaldehyde;iodomethane?
4-hydroxy-3-nitrobenzaldehyde;iodomethane has a molecular weight of 309.06 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nitrobenzaldehyde;iodomethane is sourced from PubChem (CID 174399047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).