2-[(5-nitro-2-pyridinyl)amino]acetic acid

C7H7N3O4 — CID 3798682

IUPAC2-[(5-nitro-2-pyridinyl)amino]acetic acid
SMILESO=C(O)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H7N3O4/c11-7(12)4-9-6-2-1-5(3-8-6)10(13)14/h1-3H,4H2,(H,8,9)(H,11,12)
InChIKeyUTQIRUGUSNPZPE-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.49
Rot. Bonds4

About 2-[(5-nitro-2-pyridinyl)amino]acetic acid

2-[(5-nitro-2-pyridinyl)amino]acetic acid (PubChem CID 3798682) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)amino]acetic acid
PubChem CID3798682
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name2-[(5-nitro-2-pyridinyl)amino]acetic acid
SMILESO=C(O)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H7N3O4/c11-7(12)4-9-6-2-1-5(3-8-6)10(13)14/h1-3H,4H2,(H,8,9)(H,11,12)
InChIKeyUTQIRUGUSNPZPE-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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Related Compounds

N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
4-[[2-[(5-nitro-2-pyridinyl)amino]acetyl]amino]butanoic acid
CID 39186323
2-[2-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81311809
N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 39161951
3-methyl-2-[[2-[(5-nitro-2-pyridinyl)amino]acetyl]amino]butanoic acid
CID 82032786
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 10019491
3-[[(5-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 62059734
N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 32680618
2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid
CID 10360560

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)amino]acetic acid (CID 3798682) is 2-[(5-nitro-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)amino]acetic acid is O=C(O)CNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)amino]acetic acid?
The InChIKey is UTQIRUGUSNPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-7(12)4-9-6-2-1-5(3-8-6)10(13)14/h1-3H,4H2,(H,8,9)(H,11,12).
What are the key properties of 2-[(5-nitro-2-pyridinyl)amino]acetic acid?
2-[(5-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-[(5-nitro-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 3798682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).