ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate

C15H13NO2 — CID 141103661

IUPACethyl 4H-indeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN=C2C(=Cc3ccccc32)C1
InChIInChI=1S/C15H13NO2/c1-2-18-15(17)12-8-11-7-10-5-3-4-6-13(10)14(11)16-9-12/h3-7,9H,2,8H2,1H3
InChIKeyFTVDFNIRBVBECH-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.72
Rot. Bonds2

About ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate

ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate (PubChem CID 141103661) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4H-indeno[1,2-b]pyridine-3-carboxylate
PubChem CID141103661
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Nameethyl 4H-indeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN=C2C(=Cc3ccccc32)C1
InChIInChI=1S/C15H13NO2/c1-2-18-15(17)12-8-11-7-10-5-3-4-6-13(10)14(11)16-9-12/h3-7,9H,2,8H2,1H3
InChIKeyFTVDFNIRBVBECH-UHFFFAOYSA-N
XLogP2.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-3H-pyrrole-4-carboxylate
CID 159437732
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CID 16751993
2-ethoxycarbonyl-3H-pyrrole-4-carboxylic acid
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ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate
CID 11481719
ethyl 4H-pyrido[3,2-i][1]benzazepine-3-carboxylate
CID 141197324
4-O-tert-butyl 2-O-ethyl 3H-pyrrole-2,4-dicarboxylate
CID 58278635
ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate
CID 71527325
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 2-amino-9-methoxy-3H-1-benzazepine-4-carboxylate
CID 54204716
ethyl 5-methyl-2H-pyrrole-3-carboxylate
CID 58158190
ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate
CID 70150387

Frequently Asked Questions

What is the IUPAC name of ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate (CID 141103661) is ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)C1=CN=C2C(=Cc3ccccc32)C1.
What is the InChIKey of ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is FTVDFNIRBVBECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-18-15(17)12-8-11-7-10-5-3-4-6-13(10)14(11)16-9-12/h3-7,9H,2,8H2,1H3.
What are the key properties of ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate?
ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 141103661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).