2-[(3-nitro-2-pyridinyl)amino]acetic acid

C7H7N3O4 — CID 3722651

IUPAC2-[(3-nitro-2-pyridinyl)amino]acetic acid
SMILESO=C(O)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c11-6(12)4-9-7-5(10(13)14)2-1-3-8-7/h1-3H,4H2,(H,8,9)(H,11,12)
InChIKeyWKQYCYIBTQRMTP-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.49
Rot. Bonds4

About 2-[(3-nitro-2-pyridinyl)amino]acetic acid

2-[(3-nitro-2-pyridinyl)amino]acetic acid (PubChem CID 3722651) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-[(3-nitro-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-nitro-2-pyridinyl)amino]acetic acid
PubChem CID3722651
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name2-[(3-nitro-2-pyridinyl)amino]acetic acid
SMILESO=C(O)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c11-6(12)4-9-7-5(10(13)14)2-1-3-8-7/h1-3H,4H2,(H,8,9)(H,11,12)
InChIKeyWKQYCYIBTQRMTP-UHFFFAOYSA-N
XLogP0.49
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.49
H-Bond Donors ≤ 52
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-[(3-nitro-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(3-nitro-2-pyridinyl)amino]acetic acid (CID 3722651) is 2-[(3-nitro-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-nitro-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(3-nitro-2-pyridinyl)amino]acetic acid is O=C(O)CNc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-[(3-nitro-2-pyridinyl)amino]acetic acid?
The InChIKey is WKQYCYIBTQRMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-6(12)4-9-7-5(10(13)14)2-1-3-8-7/h1-3H,4H2,(H,8,9)(H,11,12).
What are the key properties of 2-[(3-nitro-2-pyridinyl)amino]acetic acid?
2-[(3-nitro-2-pyridinyl)amino]acetic acid has a molecular weight of 197.15 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitro-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 3722651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).