methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate

C12H12FNO2 — CID 146155137

IUPACmethyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
SMILESCCc1cc(F)cc2[nH]c(C(=O)OC)cc12
InChIInChI=1S/C12H12FNO2/c1-3-7-4-8(13)5-10-9(7)6-11(14-10)12(15)16-2/h4-6,14H,3H2,1-2H3
InChIKeyBAZKFYRJUVSNGK-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.66
Rot. Bonds2

About methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate

methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate (PubChem CID 146155137) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
PubChem CID146155137
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Namemethyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
SMILESCCc1cc(F)cc2[nH]c(C(=O)OC)cc12
InChIInChI=1S/C12H12FNO2/c1-3-7-4-8(13)5-10-9(7)6-11(14-10)12(15)16-2/h4-6,14H,3H2,1-2H3
InChIKeyBAZKFYRJUVSNGK-UHFFFAOYSA-N
XLogP2.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 67227531
methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate
CID 167525145
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261
methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
CID 155973516
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 135358052
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate
CID 165084433
methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 46738864

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate (CID 146155137) is methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate is CCc1cc(F)cc2[nH]c(C(=O)OC)cc12.
What is the InChIKey of methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate?
The InChIKey is BAZKFYRJUVSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-3-7-4-8(13)5-10-9(7)6-11(14-10)12(15)16-2/h4-6,14H,3H2,1-2H3.
What are the key properties of methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate?
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate has a molecular weight of 221.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 146155137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).