2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid

C15H14N2O4 — CID 116532972

IUPAC2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)ccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-3-12-11(15(18)19)6-7-13(16-12)10-5-4-9(2)14(8-10)17(20)21/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyOAQRWTKBGZXPCO-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.23
Rot. Bonds4

About 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid

2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid (PubChem CID 116532972) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid
PubChem CID116532972
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)ccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-3-12-11(15(18)19)6-7-13(16-12)10-5-4-9(2)14(8-10)17(20)21/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyOAQRWTKBGZXPCO-UHFFFAOYSA-N
XLogP3.23
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
3-(4-methyl-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761159
5-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxylic acid
CID 114317835
2-(4-methyl-3-nitrophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953982
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid
CID 18073695
6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid
CID 116533091
2-amino-5-(4-methyl-3-nitrophenyl)-1H-pyrrole-3-carboxylic acid
CID 82365028
3-(4-methyl-3-nitrophenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 84761192
4-(3-ethylphenyl)-2-nitrobenzoic acid
CID 166594103
6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde
CID 24730308

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid (CID 116532972) is 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid is CCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid?
The InChIKey is OAQRWTKBGZXPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-12-11(15(18)19)6-7-13(16-12)10-5-4-9(2)14(8-10)17(20)21/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid?
2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 116532972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).