2-aminoethanol;2-nitrobenzoic acid

C9H12N2O5 — CID 158537748

IUPAC2-aminoethanol;2-nitrobenzoic acid
SMILESNCCO.O=C(O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H5NO4.C2H7NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;3-1-2-4/h1-4H,(H,9,10);4H,1-3H2
InChIKeyHODNNIULURNEQT-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.23
Rot. Bonds3

About 2-aminoethanol;2-nitrobenzoic acid

2-aminoethanol;2-nitrobenzoic acid (PubChem CID 158537748) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-aminoethanol;2-nitrobenzoic acid.

Molecular Properties

Compound Name2-aminoethanol;2-nitrobenzoic acid
PubChem CID158537748
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name2-aminoethanol;2-nitrobenzoic acid
SMILESNCCO.O=C(O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H5NO4.C2H7NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;3-1-2-4/h1-4H,(H,9,10);4H,1-3H2
InChIKeyHODNNIULURNEQT-UHFFFAOYSA-N
XLogP0.23
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-nitrobenzoic acid?
The IUPAC name of 2-aminoethanol;2-nitrobenzoic acid (CID 158537748) is 2-aminoethanol;2-nitrobenzoic acid.
What is the SMILES notation for 2-aminoethanol;2-nitrobenzoic acid?
The canonical SMILES for 2-aminoethanol;2-nitrobenzoic acid is NCCO.O=C(O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-aminoethanol;2-nitrobenzoic acid?
The InChIKey is HODNNIULURNEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.C2H7NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;3-1-2-4/h1-4H,(H,9,10);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-nitrobenzoic acid?
2-aminoethanol;2-nitrobenzoic acid has a molecular weight of 228.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-nitrobenzoic acid is sourced from PubChem (CID 158537748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).