5-formamido-2-hydroxy-3-nitrobenzoic acid

C8H6N2O6 — CID 168653535

IUPAC5-formamido-2-hydroxy-3-nitrobenzoic acid
SMILESO=CNc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6N2O6/c11-3-9-4-1-5(8(13)14)7(12)6(2-4)10(15)16/h1-3,12H,(H,9,11)(H,13,14)
InChIKeyCOHBUDRVDKWUTR-UHFFFAOYSA-N
MW226.14 g/mol
LogP0.57
Rot. Bonds4

About 5-formamido-2-hydroxy-3-nitrobenzoic acid

5-formamido-2-hydroxy-3-nitrobenzoic acid (PubChem CID 168653535) has the molecular formula C8H6N2O6 and a molecular weight of 226.14 g/mol. Its IUPAC name is 5-formamido-2-hydroxy-3-nitrobenzoic acid.

Molecular Properties

Compound Name5-formamido-2-hydroxy-3-nitrobenzoic acid
PubChem CID168653535
Molecular FormulaC8H6N2O6
Molecular Weight226.14 g/mol
Exact Mass226.02
IUPAC Name5-formamido-2-hydroxy-3-nitrobenzoic acid
SMILESO=CNc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6N2O6/c11-3-9-4-1-5(8(13)14)7(12)6(2-4)10(15)16/h1-3,12H,(H,9,11)(H,13,14)
InChIKeyCOHBUDRVDKWUTR-UHFFFAOYSA-N
XLogP0.57
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

2-hydroxy-3,5-dinitrobenzoic acid
CID 11873
5-(2,3-dihydroxypropylamino)-2-hydroxy-3-nitrobenzoic acid
CID 168596370
2-hydroxy-3-nitro-5-propan-2-ylbenzoic acid
CID 4572204
3-ethyl-2,4-dihydroxy-5-nitrobenzoic acid
CID 139932551
5-ethoxy-2-hydroxy-3-nitrobenzoic acid
CID 91673204
4-(methylamino)-2,6-dinitrophenol
CID 5483985
5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid
CID 168526418
5-[[(cyanoamino)-methylsulfanylmethylidene]amino]-2-hydroxy-3-nitrobenzoic acid
CID 169362331
3-formyl-2-hydroxy-5-nitrobenzoic acid
CID 23423382
5-(2,2-dicyanoethenylamino)-2-nitrobenzoic acid
CID 168541449
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
N-(3,5-difluoro-4-nitrophenyl)formamide
CID 168653393

Frequently Asked Questions

What is the IUPAC name of 5-formamido-2-hydroxy-3-nitrobenzoic acid?
The IUPAC name of 5-formamido-2-hydroxy-3-nitrobenzoic acid (CID 168653535) is 5-formamido-2-hydroxy-3-nitrobenzoic acid.
What is the SMILES notation for 5-formamido-2-hydroxy-3-nitrobenzoic acid?
The canonical SMILES for 5-formamido-2-hydroxy-3-nitrobenzoic acid is O=CNc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-formamido-2-hydroxy-3-nitrobenzoic acid?
The InChIKey is COHBUDRVDKWUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O6/c11-3-9-4-1-5(8(13)14)7(12)6(2-4)10(15)16/h1-3,12H,(H,9,11)(H,13,14).
What are the key properties of 5-formamido-2-hydroxy-3-nitrobenzoic acid?
5-formamido-2-hydroxy-3-nitrobenzoic acid has a molecular weight of 226.14 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formamido-2-hydroxy-3-nitrobenzoic acid is sourced from PubChem (CID 168653535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).