2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid

C14H12N2O5 — CID 107672545

IUPAC2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
SMILESCc1cc(Oc2cc(C)c([N+](=O)[O-])cn2)ccc1C(=O)O
InChIInChI=1S/C14H12N2O5/c1-8-5-10(3-4-11(8)14(17)18)21-13-6-9(2)12(7-15-13)16(19)20/h3-7H,1-2H3,(H,17,18)
InChIKeyYREICBXODSYQPT-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.10
Rot. Bonds4

About 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid

2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid (PubChem CID 107672545) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
PubChem CID107672545
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
SMILESCc1cc(Oc2cc(C)c([N+](=O)[O-])cn2)ccc1C(=O)O
InChIInChI=1S/C14H12N2O5/c1-8-5-10(3-4-11(8)14(17)18)21-13-6-9(2)12(7-15-13)16(19)20/h3-7H,1-2H3,(H,17,18)
InChIKeyYREICBXODSYQPT-UHFFFAOYSA-N
XLogP3.10
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
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'}

Analyze 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic 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

4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
CID 133339789
N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
CID 133329243
5-(6-methylpyrimidin-4-yl)oxy-2-nitrobenzoic acid
CID 107077807
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
CID 133328894
4-bromo-2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]benzoic acid
CID 115382260
(4-methyl-5-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 86079677
4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 107672708
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888
5-bromo-2-(3-methyl-4-nitrophenoxy)benzoic acid
CID 114896153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid (CID 107672545) is 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid is Cc1cc(Oc2cc(C)c([N+](=O)[O-])cn2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is YREICBXODSYQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-8-5-10(3-4-11(8)14(17)18)21-13-6-9(2)12(7-15-13)16(19)20/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid?
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 288.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 107672545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).