methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate

C11H10FNO2 — CID 121220626

IUPACmethyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2cccc(F)c12
InChIInChI=1S/C11H10FNO2/c1-6-9(11(14)15-2)10-7(12)4-3-5-8(10)13-6/h3-5,13H,1-2H3
InChIKeyYAQDVAIESIHKDV-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.40
Rot. Bonds1

About methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate

methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate (PubChem CID 121220626) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
PubChem CID121220626
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Namemethyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2cccc(F)c12
InChIInChI=1S/C11H10FNO2/c1-6-9(11(14)15-2)10-7(12)4-3-5-8(10)13-6/h3-5,13H,1-2H3
InChIKeyYAQDVAIESIHKDV-UHFFFAOYSA-N
XLogP2.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
4-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859828
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850307
N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110833635
methyl 2-(2,6-difluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 24701656
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863302
methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 70166553
methyl 2,6-difluorobenzoate;tricosane
CID 174987111
methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate
CID 170903598

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate (CID 121220626) is methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2cccc(F)c12.
What is the InChIKey of methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate?
The InChIKey is YAQDVAIESIHKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-6-9(11(14)15-2)10-7(12)4-3-5-8(10)13-6/h3-5,13H,1-2H3.
What are the key properties of methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate?
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate has a molecular weight of 207.20 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 121220626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).