ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate

C17H16FNO2 — CID 116532889

IUPACethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1CC)-c1ccc(F)cc1C2
InChIInChI=1S/C17H16FNO2/c1-3-15-14(17(20)21-4-2)9-11-7-10-8-12(18)5-6-13(10)16(11)19-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyMJMLSYDWGRHHGD-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.53
Rot. Bonds3

About ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate

ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate (PubChem CID 116532889) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate
PubChem CID116532889
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Nameethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1CC)-c1ccc(F)cc1C2
InChIInChI=1S/C17H16FNO2/c1-3-15-14(17(20)21-4-2)9-11-7-10-8-12(18)5-6-13(10)16(11)19-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyMJMLSYDWGRHHGD-UHFFFAOYSA-N
XLogP3.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107923921
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116532881
ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116532867
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
CID 116532839
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate (CID 116532889) is ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c(nc1CC)-c1ccc(F)cc1C2.
What is the InChIKey of ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is MJMLSYDWGRHHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-3-15-14(17(20)21-4-2)9-11-7-10-8-12(18)5-6-13(10)16(11)19-15/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate?
ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 116532889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).