6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid

C14H12N2O5 — CID 106903322

IUPAC6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1c(OCc2cccc(C(=O)O)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-9-12(16(19)20)6-3-7-13(9)21-8-10-4-2-5-11(15-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyVUNXGFQRQYLXJB-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.58
Rot. Bonds5

About 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid

6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903322) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903322
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1c(OCc2cccc(C(=O)O)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-9-12(16(19)20)6-3-7-13(9)21-8-10-4-2-5-11(15-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyVUNXGFQRQYLXJB-UHFFFAOYSA-N
XLogP2.58
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.58
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 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic 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-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63885173
6-[(2-fluoro-4-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903319
2-[(2-methyl-3-nitrophenoxy)methyl]pyridin-4-amine
CID 79250743
6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
CID 150138624
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
2,2-dimethyl-3-(2-methyl-3-nitrophenoxy)propanoic acid
CID 79622273
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
1-(bromomethoxy)-2-methyl-3-nitrobenzene
CID 67096067
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
2-O-methyl 6-O-(2-methyl-3-nitrophenyl) pyridine-2,6-dicarboxylate
CID 56796753
(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
CID 106933007
2-chloro-5-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazole
CID 79764108

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid (CID 106903322) is 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid is Cc1c(OCc2cccc(C(=O)O)n2)cccc1[N+](=O)[O-].
What is the InChIKey of 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is VUNXGFQRQYLXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-9-12(16(19)20)6-3-7-13(9)21-8-10-4-2-5-11(15-10)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid?
6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).