2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid

C10H13N3O5 — CID 79457851

IUPAC2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
SMILESCc1cc(NCCOCC(=O)O)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5/c1-7-4-9(12-5-8(7)13(16)17)11-2-3-18-6-10(14)15/h4-5H,2-3,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyALAFQTRZXXJGCF-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.81
Rot. Bonds7

About 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid

2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid (PubChem CID 79457851) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
PubChem CID79457851
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
SMILESCc1cc(NCCOCC(=O)O)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5/c1-7-4-9(12-5-8(7)13(16)17)11-2-3-18-6-10(14)15/h4-5H,2-3,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyALAFQTRZXXJGCF-UHFFFAOYSA-N
XLogP0.81
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 104507492
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
CID 112696061
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 79165242
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
2-[2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]acetic acid
CID 106748637
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79176524
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
5-methyl-3-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]hexanoic acid
CID 79165012
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79175854
1-(4-acetylpiperazin-1-yl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-1-one
CID 133329825

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid (CID 79457851) is 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid is Cc1cc(NCCOCC(=O)O)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
The InChIKey is ALAFQTRZXXJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-7-4-9(12-5-8(7)13(16)17)11-2-3-18-6-10(14)15/h4-5H,2-3,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid has a molecular weight of 255.23 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).