ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate

C15H14N2O4 — CID 115917495

IUPACethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)nc1C
InChIInChI=1S/C15H14N2O4/c1-3-21-15(18)13-7-8-14(16-10(13)2)11-5-4-6-12(9-11)17(19)20/h4-9H,3H2,1-2H3
InChIKeyBPBLUJWBPNFVKS-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.14
Rot. Bonds4

About ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate

ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate (PubChem CID 115917495) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
PubChem CID115917495
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)nc1C
InChIInChI=1S/C15H14N2O4/c1-3-21-15(18)13-7-8-14(16-10(13)2)11-5-4-6-12(9-11)17(19)20/h4-9H,3H2,1-2H3
InChIKeyBPBLUJWBPNFVKS-UHFFFAOYSA-N
XLogP3.14
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
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'}

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Related Compounds

ethyl 2-(3-nitrophenyl)benzoate
CID 71742619
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
ethyl 6-(5-ethoxycarbonyl-6-nitro-2-pyridinyl)-2-methylpyridine-3-carboxylate
CID 54542288
ethyl 4-methyl-2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 47061933
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 4-[5-(3-nitrophenyl)-2H-triazol-4-yl]-1H-pyrrole-2-carboxylate
CID 135482195
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 5-methyl-3-(3-nitrophenyl)-1H-pyrazole-4-carboxylate
CID 101440422
[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methanethiol
CID 82453456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate (CID 115917495) is ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate?
The InChIKey is BPBLUJWBPNFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-21-15(18)13-7-8-14(16-10(13)2)11-5-4-6-12(9-11)17(19)20/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate?
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 115917495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).