ethyl 4-(3-formyl-2-pyridinyl)benzoate

C15H13NO3 — CID 57360940

IUPACethyl 4-(3-formyl-2-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ncccc2C=O)cc1
InChIInChI=1S/C15H13NO3/c1-2-19-15(18)12-7-5-11(6-8-12)14-13(10-17)4-3-9-16-14/h3-10H,2H2,1H3
InChIKeyUDPPOPSAVYHNQB-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.74
Rot. Bonds4

About ethyl 4-(3-formyl-2-pyridinyl)benzoate

ethyl 4-(3-formyl-2-pyridinyl)benzoate (PubChem CID 57360940) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 4-(3-formyl-2-pyridinyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-formyl-2-pyridinyl)benzoate
PubChem CID57360940
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Nameethyl 4-(3-formyl-2-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ncccc2C=O)cc1
InChIInChI=1S/C15H13NO3/c1-2-19-15(18)12-7-5-11(6-8-12)14-13(10-17)4-3-9-16-14/h3-10H,2H2,1H3
InChIKeyUDPPOPSAVYHNQB-UHFFFAOYSA-N
XLogP2.74
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
ethyl 2-phenylpyridine-3-carboxylate
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methyl 4-(3-ethenyl-2-pyridinyl)benzoate
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ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
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ethyl 4-[(2-formylphenoxy)methyl]benzoate
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ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
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2-(4-bromophenyl)pyridine-3-carbaldehyde
CID 82380052
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
CID 162519622
ethyl benzoate;toluene
CID 23150750
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-formyl-2-pyridinyl)benzoate?
The IUPAC name of ethyl 4-(3-formyl-2-pyridinyl)benzoate (CID 57360940) is ethyl 4-(3-formyl-2-pyridinyl)benzoate.
What is the SMILES notation for ethyl 4-(3-formyl-2-pyridinyl)benzoate?
The canonical SMILES for ethyl 4-(3-formyl-2-pyridinyl)benzoate is CCOC(=O)c1ccc(-c2ncccc2C=O)cc1.
What is the InChIKey of ethyl 4-(3-formyl-2-pyridinyl)benzoate?
The InChIKey is UDPPOPSAVYHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-19-15(18)12-7-5-11(6-8-12)14-13(10-17)4-3-9-16-14/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-(3-formyl-2-pyridinyl)benzoate?
ethyl 4-(3-formyl-2-pyridinyl)benzoate has a molecular weight of 255.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-formyl-2-pyridinyl)benzoate is sourced from PubChem (CID 57360940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).