3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid

C10H7IN2O6S — CID 142275400

IUPAC3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid
SMILESO=[N+]([O-])c1ccc2c(NI)c(O)cc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H7IN2O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4,12,14H,(H,17,18,19)
InChIKeyQWQWPYZSLMQRSK-UHFFFAOYSA-N
MW410.15 g/mol
LogP2.46
Rot. Bonds3

About 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid

3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid (PubChem CID 142275400) has the molecular formula C10H7IN2O6S and a molecular weight of 410.15 g/mol. Its IUPAC name is 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid
PubChem CID142275400
Molecular FormulaC10H7IN2O6S
Molecular Weight410.15 g/mol
Exact Mass409.91
IUPAC Name3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid
SMILESO=[N+]([O-])c1ccc2c(NI)c(O)cc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H7IN2O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4,12,14H,(H,17,18,19)
InChIKeyQWQWPYZSLMQRSK-UHFFFAOYSA-N
XLogP2.46
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.15
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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-hydroxy-4-[(5-hydroxy-1-sulfonaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 136855555
sodium 3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 135422055
cobalt(3+);1-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalen-2-olate;6-nitro-1-[(2-oxidonaphthalen-1-yl)diazenyl]-4-sulfonaphthalen-2-olate
CID 170841740
2,5-dinitrobenzenesulfonic acid;sulfurochloridic acid
CID 89253341
3-(methylamino)-7-nitronaphthalene-1,5-disulfonic acid
CID 143971979
sodium 3-hydroxy-7-nitronaphthalene-1-sulfonate
CID 2749239
2-methyl-4-nitrobenzenesulfonic acid;hydrochloride
CID 88842241
sodium 2-methyl-5-nitrobenzenesulfonic acid
CID 23718308
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
sodium;hydride;4-nitro-2-sulfobenzoic acid
CID 173234399
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
CID 131878573
CID 131878573

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid?
The IUPAC name of 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid (CID 142275400) is 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid.
What is the SMILES notation for 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid?
The canonical SMILES for 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid is O=[N+]([O-])c1ccc2c(NI)c(O)cc(S(=O)(=O)O)c2c1.
What is the InChIKey of 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid?
The InChIKey is QWQWPYZSLMQRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4,12,14H,(H,17,18,19).
What are the key properties of 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid?
3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid has a molecular weight of 410.15 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(iodoamino)-7-nitronaphthalene-1-sulfonic acid is sourced from PubChem (CID 142275400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).