2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid

C15H14N4O6 — CID 3129184

IUPAC2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1cc(C=NNc2ccc([N+](=O)[O-])cn2)ccc1OCC(=O)O
InChIInChI=1S/C15H14N4O6/c1-24-13-6-10(2-4-12(13)25-9-15(20)21)7-17-18-14-5-3-11(8-16-14)19(22)23/h2-8H,9H2,1H3,(H,16,18)(H,20,21)
InChIKeyRIHZBCVAYMVZQZ-UHFFFAOYSA-N
MW346.30 g/mol
LogP1.91
Rot. Bonds8

About 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 3129184) has the molecular formula C15H14N4O6 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID3129184
Molecular FormulaC15H14N4O6
Molecular Weight346.30 g/mol
Exact Mass346.09
IUPAC Name2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1cc(C=NNc2ccc([N+](=O)[O-])cn2)ccc1OCC(=O)O
InChIInChI=1S/C15H14N4O6/c1-24-13-6-10(2-4-12(13)25-9-15(20)21)7-17-18-14-5-3-11(8-16-14)19(22)23/h2-8H,9H2,1H3,(H,16,18)(H,20,21)
InChIKeyRIHZBCVAYMVZQZ-UHFFFAOYSA-N
XLogP1.91
TPSA136.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135473372
[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 3645507
2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 110842113
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939
4-[[2-bromo-6-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 5143494
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
[5-bromo-2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] acetate
CID 5056187
(2R)-2-[2-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126019714
2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 133169157
2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137152057
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 803110

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 3129184) is 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid is COc1cc(C=NNc2ccc([N+](=O)[O-])cn2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is RIHZBCVAYMVZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6/c1-24-13-6-10(2-4-12(13)25-9-15(20)21)7-17-18-14-5-3-11(8-16-14)19(22)23/h2-8H,9H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 346.30 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 3129184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).