6-hydroxy-3-methoxy-2-nitrobenzaldehyde

C8H7NO5 — CID 44614059

IUPAC6-hydroxy-3-methoxy-2-nitrobenzaldehyde
SMILESCOc1ccc(O)c(C=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H7NO5/c1-14-7-3-2-6(11)5(4-10)8(7)9(12)13/h2-4,11H,1H3
InChIKeyIWNUHGOXLDJPAC-UHFFFAOYSA-N
MW197.15 g/mol
LogP1.12
Rot. Bonds3

About 6-hydroxy-3-methoxy-2-nitrobenzaldehyde

6-hydroxy-3-methoxy-2-nitrobenzaldehyde (PubChem CID 44614059) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 6-hydroxy-3-methoxy-2-nitrobenzaldehyde.

Molecular Properties

Compound Name6-hydroxy-3-methoxy-2-nitrobenzaldehyde
PubChem CID44614059
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name6-hydroxy-3-methoxy-2-nitrobenzaldehyde
SMILESCOc1ccc(O)c(C=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H7NO5/c1-14-7-3-2-6(11)5(4-10)8(7)9(12)13/h2-4,11H,1H3
InChIKeyIWNUHGOXLDJPAC-UHFFFAOYSA-N
XLogP1.12
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine
CID 168531252
3-chloro-4-methoxy-2-nitrobenzaldehyde
CID 77231457
5-methoxy-2-methyl-4-nitro-1-benzothiophene-3-carbaldehyde
CID 121224689
methyl 2-formyl-6-methoxy-3-nitrobenzoate
CID 171023954
2-fluoro-6-methoxy-3-nitrobenzaldehyde
CID 138561888
3-hydroxy-4-methoxy-2-nitrobenzaldehyde;5-hydroxy-4-methoxy-2-nitrobenzaldehyde
CID 87967625
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
3-hydroxy-4-methoxybenzaldehyde;4-nitrobenzaldehyde
CID 87894032
3-(3-methoxy-2,6-dinitrophenyl)prop-2-enoic acid
CID 3835991
2-tert-butyl-3-methoxy-6-nitrobenzaldehyde
CID 118609286
2-hydroxy-3,6-dimethoxy-5-nitrobenzaldehyde
CID 66545661

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methoxy-2-nitrobenzaldehyde?
The IUPAC name of 6-hydroxy-3-methoxy-2-nitrobenzaldehyde (CID 44614059) is 6-hydroxy-3-methoxy-2-nitrobenzaldehyde.
What is the SMILES notation for 6-hydroxy-3-methoxy-2-nitrobenzaldehyde?
The canonical SMILES for 6-hydroxy-3-methoxy-2-nitrobenzaldehyde is COc1ccc(O)c(C=O)c1[N+](=O)[O-].
What is the InChIKey of 6-hydroxy-3-methoxy-2-nitrobenzaldehyde?
The InChIKey is IWNUHGOXLDJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c1-14-7-3-2-6(11)5(4-10)8(7)9(12)13/h2-4,11H,1H3.
What are the key properties of 6-hydroxy-3-methoxy-2-nitrobenzaldehyde?
6-hydroxy-3-methoxy-2-nitrobenzaldehyde has a molecular weight of 197.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methoxy-2-nitrobenzaldehyde is sourced from PubChem (CID 44614059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).