methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate

C11H10FNO3 — CID 146173958

IUPACmethyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(F)cc2c1OC
InChIInChI=1S/C11H10FNO3/c1-15-10-7-5-6(12)3-4-8(7)13-9(10)11(14)16-2/h3-5,13H,1-2H3
InChIKeyZGXWQBUNQVWLPL-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.10
Rot. Bonds2

About methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate

methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate (PubChem CID 146173958) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
PubChem CID146173958
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namemethyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(F)cc2c1OC
InChIInChI=1S/C11H10FNO3/c1-15-10-7-5-6(12)3-4-8(7)13-9(10)11(14)16-2/h3-5,13H,1-2H3
InChIKeyZGXWQBUNQVWLPL-UHFFFAOYSA-N
XLogP2.10
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
methyl 3-[(2-chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate
CID 934562
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537
methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate
CID 68616120
5-fluoro-3-methoxy-1H-indole-2-carbaldehyde
CID 82402316
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
methyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6918825
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
methyl 2-(4-bromophenyl)-5-fluoro-1H-indole-3-carboxylate
CID 172606531

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate (CID 146173958) is methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(F)cc2c1OC.
What is the InChIKey of methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate?
The InChIKey is ZGXWQBUNQVWLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-15-10-7-5-6(12)3-4-8(7)13-9(10)11(14)16-2/h3-5,13H,1-2H3.
What are the key properties of methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate?
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 146173958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).