2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol

C16H16N2O7 — CID 158238008

IUPAC2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
SMILESCO.Cc1nc(C)c(C(=O)O)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)O
InChIInChI=1S/C15H12N2O6.CH4O/c1-7-11(14(18)19)13(12(15(20)21)8(2)16-7)9-4-3-5-10(6-9)17(22)23;1-2/h3-6H,1-2H3,(H,18,19)(H,20,21);2H,1H3
InChIKeyGFEYOIYFRDVDAZ-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.28
Rot. Bonds4

About 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol

2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol (PubChem CID 158238008) has the molecular formula C16H16N2O7 and a molecular weight of 348.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
PubChem CID158238008
Molecular FormulaC16H16N2O7
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
SMILESCO.Cc1nc(C)c(C(=O)O)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)O
InChIInChI=1S/C15H12N2O6.CH4O/c1-7-11(14(18)19)13(12(15(20)21)8(2)16-7)9-4-3-5-10(6-9)17(22)23;1-2/h3-6H,1-2H3,(H,18,19)(H,20,21);2H,1H3
InChIKeyGFEYOIYFRDVDAZ-UHFFFAOYSA-N
XLogP2.28
TPSA150.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol 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-methoxy-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 21077787
2-cyano-6-methyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 10316994
5-[1-(2-chloroethyl)cyclopentyl]oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid;nitric acid
CID 160585410
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CID 14686765
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
3-O-(2-methoxyethyl) 5-O-(3-phenylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CID 139592469
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
2-[[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyloxy-3-pyridinyl]oxycarbonyloxy]ethyl acetate
CID 70471352

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol?
The IUPAC name of 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol (CID 158238008) is 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol.
What is the SMILES notation for 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol?
The canonical SMILES for 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol is CO.Cc1nc(C)c(C(=O)O)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol?
The InChIKey is GFEYOIYFRDVDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6.CH4O/c1-7-11(14(18)19)13(12(15(20)21)8(2)16-7)9-4-3-5-10(6-9)17(22)23;1-2/h3-6H,1-2H3,(H,18,19)(H,20,21);2H,1H3.
What are the key properties of 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol?
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol has a molecular weight of 348.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol is sourced from PubChem (CID 158238008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).