3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide

C10H10N2O6 — CID 171868874

IUPAC3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O6/c11-10(16)9(15)8(14)6-2-1-5(4-13)3-7(6)12(17)18/h1-4,8-9,14-15H,(H2,11,16)
InChIKeyCTAMUFATXITADP-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.71
Rot. Bonds5

About 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide

3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide (PubChem CID 171868874) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
PubChem CID171868874
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O6/c11-10(16)9(15)8(14)6-2-1-5(4-13)3-7(6)12(17)18/h1-4,8-9,14-15H,(H2,11,16)
InChIKeyCTAMUFATXITADP-UHFFFAOYSA-N
XLogP-0.71
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(4-acetyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171869098
dimethyl 2-(4-formyl-2-nitrophenyl)propanedioate
CID 131637549
2-(4-formyl-2-nitrophenyl)acetamide
CID 87921397
3-nitro-4-(1-oxopropan-2-yl)benzaldehyde
CID 134639381
4-(4-azido-1,2-dihydroxybutyl)-3-nitrobenzaldehyde
CID 171880176
3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide
CID 106177769
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
2-(4-formyl-2-nitrophenyl)acetic acid
CID 22931275
4-hydroxy-3-nitrobenzaldehyde
CID 18169
3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide
CID 171867942
3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868869
methyl 2,3-dihydroxy-3-(4-hydroxy-2-nitrophenyl)propanoate
CID 171864555

Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide (CID 171868874) is 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide?
The InChIKey is CTAMUFATXITADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c11-10(16)9(15)8(14)6-2-1-5(4-13)3-7(6)12(17)18/h1-4,8-9,14-15H,(H2,11,16).
What are the key properties of 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide?
3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide has a molecular weight of 254.20 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).