2-chloro-3-hydroxy-6-nitrobenzaldehyde

C7H4ClNO4 — CID 13147354

IUPAC2-chloro-3-hydroxy-6-nitrobenzaldehyde
SMILESO=Cc1c([N+](=O)[O-])ccc(O)c1Cl
InChIInChI=1S/C7H4ClNO4/c8-7-4(3-10)5(9(12)13)1-2-6(7)11/h1-3,11H
InChIKeyLAKKAFNFFIOANE-UHFFFAOYSA-N
MW201.56 g/mol
LogP1.77
Rot. Bonds2

About 2-chloro-3-hydroxy-6-nitrobenzaldehyde

2-chloro-3-hydroxy-6-nitrobenzaldehyde (PubChem CID 13147354) has the molecular formula C7H4ClNO4 and a molecular weight of 201.56 g/mol. Its IUPAC name is 2-chloro-3-hydroxy-6-nitrobenzaldehyde.

Molecular Properties

Compound Name2-chloro-3-hydroxy-6-nitrobenzaldehyde
PubChem CID13147354
Molecular FormulaC7H4ClNO4
Molecular Weight201.56 g/mol
Exact Mass200.98
IUPAC Name2-chloro-3-hydroxy-6-nitrobenzaldehyde
SMILESO=Cc1c([N+](=O)[O-])ccc(O)c1Cl
InChIInChI=1S/C7H4ClNO4/c8-7-4(3-10)5(9(12)13)1-2-6(7)11/h1-3,11H
InChIKeyLAKKAFNFFIOANE-UHFFFAOYSA-N
XLogP1.77
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.56
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-chloro-6-nitrophthalaldehyde
CID 171006758
6-hydroxy-2-iodo-3-nitrobenzaldehyde
CID 19069473
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
3-chloro-2-methyl-6-nitrobenzaldehyde
CID 130966517
4-(2-chloro-3-formyl-4-nitrophenoxy)butanoyl chloride
CID 54278590
6-chloro-2-methyl-3-nitrobenzaldehyde
CID 130848770
2-formyl-6-iodo-3-nitrobenzamide
CID 171016348
4-hydroxy-3-nitrobenzaldehyde
CID 18169
2-(3-aminoprop-1-ynyl)-6-hydroxy-3-nitrobenzaldehyde
CID 139642532
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
2-acetyl-3-bromo-6-nitrobenzaldehyde
CID 171003778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hydroxy-6-nitrobenzaldehyde?
The IUPAC name of 2-chloro-3-hydroxy-6-nitrobenzaldehyde (CID 13147354) is 2-chloro-3-hydroxy-6-nitrobenzaldehyde.
What is the SMILES notation for 2-chloro-3-hydroxy-6-nitrobenzaldehyde?
The canonical SMILES for 2-chloro-3-hydroxy-6-nitrobenzaldehyde is O=Cc1c([N+](=O)[O-])ccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-hydroxy-6-nitrobenzaldehyde?
The InChIKey is LAKKAFNFFIOANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4/c8-7-4(3-10)5(9(12)13)1-2-6(7)11/h1-3,11H.
What are the key properties of 2-chloro-3-hydroxy-6-nitrobenzaldehyde?
2-chloro-3-hydroxy-6-nitrobenzaldehyde has a molecular weight of 201.56 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hydroxy-6-nitrobenzaldehyde is sourced from PubChem (CID 13147354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).