2-amino-3-hydroxy-6-nitrobenzoic acid

C7H6N2O5 — CID 138958646

IUPAC2-amino-3-hydroxy-6-nitrobenzoic acid
SMILESNc1c(O)ccc([N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C7H6N2O5/c8-6-4(10)2-1-3(9(13)14)5(6)7(11)12/h1-2,10H,8H2,(H,11,12)
InChIKeyQSLOPKSFOYISMJ-UHFFFAOYSA-N
MW198.13 g/mol
LogP0.58
Rot. Bonds2

About 2-amino-3-hydroxy-6-nitrobenzoic acid

2-amino-3-hydroxy-6-nitrobenzoic acid (PubChem CID 138958646) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2-amino-3-hydroxy-6-nitrobenzoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-6-nitrobenzoic acid
PubChem CID138958646
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name2-amino-3-hydroxy-6-nitrobenzoic acid
SMILESNc1c(O)ccc([N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C7H6N2O5/c8-6-4(10)2-1-3(9(13)14)5(6)7(11)12/h1-2,10H,8H2,(H,11,12)
InChIKeyQSLOPKSFOYISMJ-UHFFFAOYSA-N
XLogP0.58
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

1-(2-amino-3-hydroxy-6-nitrophenyl)-2-bromoethanone
CID 171022950
2,6-dihydroxy-3-nitrobenzoic acid
CID 11171618
2-amino-3-methyl-4-nitrophenol
CID 86240740
2-hydroxy-3-methyl-6-nitrobenzoic acid
CID 139330505
2-amino-3-hydroxy-6-nitrobenzonitrile
CID 171018562
2-amino-3-hydroxy-6-iodobenzoic acid
CID 130140335
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384
3-chloro-2-fluoro-6-nitrobenzoic acid
CID 130848879
3-amino-2-chloro-4-nitrobenzoic acid
CID 10488942
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
6-cyano-2-hydroxy-3-nitrobenzoic acid
CID 131403400

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-6-nitrobenzoic acid?
The IUPAC name of 2-amino-3-hydroxy-6-nitrobenzoic acid (CID 138958646) is 2-amino-3-hydroxy-6-nitrobenzoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-6-nitrobenzoic acid?
The canonical SMILES for 2-amino-3-hydroxy-6-nitrobenzoic acid is Nc1c(O)ccc([N+](=O)[O-])c1C(=O)O.
What is the InChIKey of 2-amino-3-hydroxy-6-nitrobenzoic acid?
The InChIKey is QSLOPKSFOYISMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c8-6-4(10)2-1-3(9(13)14)5(6)7(11)12/h1-2,10H,8H2,(H,11,12).
What are the key properties of 2-amino-3-hydroxy-6-nitrobenzoic acid?
2-amino-3-hydroxy-6-nitrobenzoic acid has a molecular weight of 198.13 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-6-nitrobenzoic acid is sourced from PubChem (CID 138958646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).