ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate

C17H17NO4 — CID 134833739

IUPACethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccc(-c2ncccc2C(=O)OCC)c1
InChIInChI=1S/C17H17NO4/c1-3-21-16(19)13-8-5-7-12(11-13)15-14(9-6-10-18-15)17(20)22-4-2/h5-11H,3-4H2,1-2H3
InChIKeyBNNYLMDYROCXAX-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.10
Rot. Bonds5

About ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate

ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate (PubChem CID 134833739) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
PubChem CID134833739
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccc(-c2ncccc2C(=O)OCC)c1
InChIInChI=1S/C17H17NO4/c1-3-21-16(19)13-8-5-7-12(11-13)15-14(9-6-10-18-15)17(20)22-4-2/h5-11H,3-4H2,1-2H3
InChIKeyBNNYLMDYROCXAX-UHFFFAOYSA-N
XLogP3.10
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 31018317
ethyl 2-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]pyridine-3-carboxylate
CID 119068596
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 4-(3-formyl-2-pyridinyl)benzoate
CID 57360940
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
ethyl 2-[4-(azepan-1-yl)-3-cyanophenyl]pyridine-3-carboxylate
CID 68702088
ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxylate
CID 68702096
ethyl 2-[4-(3-chloropropoxy)-3-cyanophenyl]pyridine-3-carboxylate
CID 59141051
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate (CID 134833739) is ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate is CCOC(=O)c1cccc(-c2ncccc2C(=O)OCC)c1.
What is the InChIKey of ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate?
The InChIKey is BNNYLMDYROCXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-21-16(19)13-8-5-7-12(11-13)15-14(9-6-10-18-15)17(20)22-4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate?
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 134833739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).