ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate

C13H12ClNO4 — CID 12823090

IUPACethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
SMILESCCOC(=O)c1cc2cc3c(c(Cl)c2[nH]1)OCCO3
InChIInChI=1S/C13H12ClNO4/c1-2-17-13(16)8-5-7-6-9-12(19-4-3-18-9)10(14)11(7)15-8/h5-6,15H,2-4H2,1H3
InChIKeyOUGSKQSLBDAXNF-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.77
Rot. Bonds2

About ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate

ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate (PubChem CID 12823090) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
PubChem CID12823090
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Nameethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
SMILESCCOC(=O)c1cc2cc3c(c(Cl)c2[nH]1)OCCO3
InChIInChI=1S/C13H12ClNO4/c1-2-17-13(16)8-5-7-6-9-12(19-4-3-18-9)10(14)11(7)15-8/h5-6,15H,2-4H2,1H3
InChIKeyOUGSKQSLBDAXNF-UHFFFAOYSA-N
XLogP2.77
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 164549234
ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate
CID 67414308
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-indole-2-carboxylate
CID 7630693
ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 12823093
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
CID 15231750
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
ethyl 7-amino-5-(methylsulfanylmethoxy)-1H-indole-2-carboxylate
CID 59428733
ethyl 7,8-dichloro-1-oxo-2H-isoquinoline-3-carboxylate
CID 14027810
ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 168946890
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
The IUPAC name of ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate (CID 12823090) is ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate.
What is the SMILES notation for ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
The canonical SMILES for ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate is CCOC(=O)c1cc2cc3c(c(Cl)c2[nH]1)OCCO3.
What is the InChIKey of ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
The InChIKey is OUGSKQSLBDAXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-2-17-13(16)8-5-7-6-9-12(19-4-3-18-9)10(14)11(7)15-8/h5-6,15H,2-4H2,1H3.
What are the key properties of ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate has a molecular weight of 281.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate is sourced from PubChem (CID 12823090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).