ethyl 5-fluoro-1-methylindole-2-carboxylate

C12H12FNO2 — CID 10775338

IUPACethyl 5-fluoro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C12H12FNO2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3H2,1-2H3
InChIKeyQIZYMGRKSHRZEY-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.49
Rot. Bonds2

About ethyl 5-fluoro-1-methylindole-2-carboxylate

ethyl 5-fluoro-1-methylindole-2-carboxylate (PubChem CID 10775338) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is ethyl 5-fluoro-1-methylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-methylindole-2-carboxylate
PubChem CID10775338
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Nameethyl 5-fluoro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C12H12FNO2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3H2,1-2H3
InChIKeyQIZYMGRKSHRZEY-UHFFFAOYSA-N
XLogP2.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
CID 146348691
ethyl 5-[bis(2-chloroethyl)amino]-1-methylindole-2-carboxylate
CID 10688716
ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
CID 15978861
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
ethyl 5-fluoro-1-[(3-methyl-2-pyridinyl)methyl]indole-2-carboxylate
CID 15979106
N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
CID 110848424
ethyl 5-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxylate
CID 91202281
ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
CID 10489867
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
5-chloro-N,1-dimethylindole-2-carboxamide;1-(5-chloro-1-methylindol-2-yl)-N-methylmethanamine;ethyl 5-chloro-1-methylindole-2-carboxylate;methane
CID 161431014

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-methylindole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-methylindole-2-carboxylate (CID 10775338) is ethyl 5-fluoro-1-methylindole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-methylindole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-methylindole-2-carboxylate is CCOC(=O)c1cc2cc(F)ccc2n1C.
What is the InChIKey of ethyl 5-fluoro-1-methylindole-2-carboxylate?
The InChIKey is QIZYMGRKSHRZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-1-methylindole-2-carboxylate?
ethyl 5-fluoro-1-methylindole-2-carboxylate has a molecular weight of 221.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1-methylindole-2-carboxylate is sourced from PubChem (CID 10775338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).