ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate

C12H11ClFNO3 — CID 164549234

IUPACethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(Cl)c(F)c2[nH]1
InChIInChI=1S/C12H11ClFNO3/c1-3-18-12(16)7-4-6-5-8(17-2)9(13)10(14)11(6)15-7/h4-5,15H,3H2,1-2H3
InChIKeyNUBYGJOHYWSEPP-UHFFFAOYSA-N
MW271.67 g/mol
LogP3.15
Rot. Bonds3

About ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate

ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate (PubChem CID 164549234) has the molecular formula C12H11ClFNO3 and a molecular weight of 271.67 g/mol. Its IUPAC name is ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate
PubChem CID164549234
Molecular FormulaC12H11ClFNO3
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Nameethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(Cl)c(F)c2[nH]1
InChIInChI=1S/C12H11ClFNO3/c1-3-18-12(16)7-4-6-5-8(17-2)9(13)10(14)11(6)15-7/h4-5,15H,3H2,1-2H3
InChIKeyNUBYGJOHYWSEPP-UHFFFAOYSA-N
XLogP3.15
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 168946890
ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
CID 15231750
ethyl 5-cyano-7-methoxy-1H-indole-2-carboxylate
CID 165348341
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 12823090
ethyl 5-iodo-6-methoxy-1H-indole-2-carboxylate
CID 118029444
ethyl 3-chloro-2-formyl-4,6-dimethoxybenzoate
CID 102368936
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 3-(6-chloro-7-fluoro-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazole-5-carboxylate
CID 164549116
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 4-chloro-5-fluoro-7-nitro-1H-indole-2-carboxylate
CID 141488624

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate (CID 164549234) is ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(OC)c(Cl)c(F)c2[nH]1.
What is the InChIKey of ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate?
The InChIKey is NUBYGJOHYWSEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO3/c1-3-18-12(16)7-4-6-5-8(17-2)9(13)10(14)11(6)15-7/h4-5,15H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate?
ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate has a molecular weight of 271.67 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 164549234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).