2-nitronaphthalene-1,5-disulfonic acid

C10H7NO8S2 — CID 20525555

IUPAC2-nitronaphthalene-1,5-disulfonic acid
SMILESO=[N+]([O-])c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H7NO8S2/c12-11(13)8-5-4-6-7(10(8)21(17,18)19)2-1-3-9(6)20(14,15)16/h1-5H,(H,14,15,16)(H,17,18,19)
InChIKeyQPAMBKAQOPFZAY-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.24
Rot. Bonds3

About 2-nitronaphthalene-1,5-disulfonic acid

2-nitronaphthalene-1,5-disulfonic acid (PubChem CID 20525555) has the molecular formula C10H7NO8S2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-nitronaphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Name2-nitronaphthalene-1,5-disulfonic acid
PubChem CID20525555
Molecular FormulaC10H7NO8S2
Molecular Weight333.30 g/mol
Exact Mass332.96
IUPAC Name2-nitronaphthalene-1,5-disulfonic acid
SMILESO=[N+]([O-])c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H7NO8S2/c12-11(13)8-5-4-6-7(10(8)21(17,18)19)2-1-3-9(6)20(14,15)16/h1-5H,(H,14,15,16)(H,17,18,19)
InChIKeyQPAMBKAQOPFZAY-UHFFFAOYSA-N
XLogP1.24
TPSA151.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxynaphthalene-1,5-disulfonic acid
CID 19366260
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
5-sulfonaphthalene-1-sulfonate
CID 3517121
4-hydroxy-3-nitronaphthalene-1-sulfonic acid
CID 3018258
2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
1,2-dinitrobenzene;3-(2-phenylethenyl)benzene-1,2-disulfonic acid
CID 174306447
3,4-dinitronaphthalene-1,2-disulfonic acid
CID 21395915
5-methoxysulfonyl-6-methylnaphthalene-1-sulfonic acid
CID 142035347
2-nitrobenzenesulfonic acid;2,4,6-trimethylbenzenesulfonic acid
CID 158942714
2-methoxy-6-nitrobenzenesulfonic acid;hydrochloride
CID 88827921
3,4-dinitrobenzenesulfonic acid
CID 21271067

Frequently Asked Questions

What is the IUPAC name of 2-nitronaphthalene-1,5-disulfonic acid?
The IUPAC name of 2-nitronaphthalene-1,5-disulfonic acid (CID 20525555) is 2-nitronaphthalene-1,5-disulfonic acid.
What is the SMILES notation for 2-nitronaphthalene-1,5-disulfonic acid?
The canonical SMILES for 2-nitronaphthalene-1,5-disulfonic acid is O=[N+]([O-])c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O.
What is the InChIKey of 2-nitronaphthalene-1,5-disulfonic acid?
The InChIKey is QPAMBKAQOPFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO8S2/c12-11(13)8-5-4-6-7(10(8)21(17,18)19)2-1-3-9(6)20(14,15)16/h1-5H,(H,14,15,16)(H,17,18,19).
What are the key properties of 2-nitronaphthalene-1,5-disulfonic acid?
2-nitronaphthalene-1,5-disulfonic acid has a molecular weight of 333.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitronaphthalene-1,5-disulfonic acid is sourced from PubChem (CID 20525555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).