4-hydroxy-6-nitronaphthalene-2-carboxylic acid

C11H7NO5 — CID 12788607

IUPAC4-hydroxy-6-nitronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2cc([N+](=O)[O-])ccc2c1
InChIInChI=1S/C11H7NO5/c13-10-4-7(11(14)15)3-6-1-2-8(12(16)17)5-9(6)10/h1-5,13H,(H,14,15)
InChIKeyDMHYMOJTAGLZHZ-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.15
Rot. Bonds2

About 4-hydroxy-6-nitronaphthalene-2-carboxylic acid

4-hydroxy-6-nitronaphthalene-2-carboxylic acid (PubChem CID 12788607) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 4-hydroxy-6-nitronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-nitronaphthalene-2-carboxylic acid
PubChem CID12788607
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name4-hydroxy-6-nitronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2cc([N+](=O)[O-])ccc2c1
InChIInChI=1S/C11H7NO5/c13-10-4-7(11(14)15)3-6-1-2-8(12(16)17)5-9(6)10/h1-5,13H,(H,14,15)
InChIKeyDMHYMOJTAGLZHZ-UHFFFAOYSA-N
XLogP2.15
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-nitrophenyl)naphthalene-2-carboxylic acid
CID 174446453
6-nitrophenanthrene-1,10-dicarboxylic acid
CID 23364012
sodium;3,5-dinitrobenzoic acid;hydride
CID 173208447
4-hydroxybenzoic acid;4-nitrobenzoic acid
CID 174864813
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987
cesium;hydride;4-nitrobenzoic acid
CID 174438488
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61031154
3,5-dinitrobenzoic acid;piperazine
CID 54602431
2-fluoro-7-nitronaphthalen-1-ol
CID 169489335
3-hydroxy-4-(6-nitro-1,3-benzoxazol-2-yl)benzoic acid
CID 136791037
3,5-dinitrobenzoic acid;2-(naphthalen-1-ylmethyl)phenol
CID 71387613
4-nitrobenzoic acid;trimethylsilane
CID 175438853

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-nitronaphthalene-2-carboxylic acid?
The IUPAC name of 4-hydroxy-6-nitronaphthalene-2-carboxylic acid (CID 12788607) is 4-hydroxy-6-nitronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-nitronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-nitronaphthalene-2-carboxylic acid is O=C(O)c1cc(O)c2cc([N+](=O)[O-])ccc2c1.
What is the InChIKey of 4-hydroxy-6-nitronaphthalene-2-carboxylic acid?
The InChIKey is DMHYMOJTAGLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-10-4-7(11(14)15)3-6-1-2-8(12(16)17)5-9(6)10/h1-5,13H,(H,14,15).
What are the key properties of 4-hydroxy-6-nitronaphthalene-2-carboxylic acid?
4-hydroxy-6-nitronaphthalene-2-carboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-nitronaphthalene-2-carboxylic acid is sourced from PubChem (CID 12788607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).