2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid

C10H13N3O6 — CID 115321260

IUPAC2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
SMILESCOc1ccc([N+](=O)[O-])c(NCCOCC(=O)O)n1
InChIInChI=1S/C10H13N3O6/c1-18-8-3-2-7(13(16)17)10(12-8)11-4-5-19-6-9(14)15/h2-3H,4-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyDAMQLZXTIIYVPQ-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.51
Rot. Bonds8

About 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid

2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid (PubChem CID 115321260) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
PubChem CID115321260
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
SMILESCOc1ccc([N+](=O)[O-])c(NCCOCC(=O)O)n1
InChIInChI=1S/C10H13N3O6/c1-18-8-3-2-7(13(16)17)10(12-8)11-4-5-19-6-9(14)15/h2-3H,4-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyDAMQLZXTIIYVPQ-UHFFFAOYSA-N
XLogP0.51
TPSA123.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid (CID 115321260) is 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid is COc1ccc([N+](=O)[O-])c(NCCOCC(=O)O)n1.
What is the InChIKey of 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
The InChIKey is DAMQLZXTIIYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-18-8-3-2-7(13(16)17)10(12-8)11-4-5-19-6-9(14)15/h2-3H,4-6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid?
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid has a molecular weight of 271.23 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 115321260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).