methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate

C12H11F2NO3 — CID 170903598

IUPACmethyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2c(OC)c(F)cc(F)c12
InChIInChI=1S/C12H11F2NO3/c1-5-8(12(16)18-3)9-6(13)4-7(14)11(17-2)10(9)15-5/h4,15H,1-3H3
InChIKeyQSIVSPHJMLSKAW-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.55
Rot. Bonds2

About methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate

methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate (PubChem CID 170903598) has the molecular formula C12H11F2NO3 and a molecular weight of 255.22 g/mol. Its IUPAC name is methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate
PubChem CID170903598
Molecular FormulaC12H11F2NO3
Molecular Weight255.22 g/mol
Exact Mass255.07
IUPAC Namemethyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2c(OC)c(F)cc(F)c12
InChIInChI=1S/C12H11F2NO3/c1-5-8(12(16)18-3)9-6(13)4-7(14)11(17-2)10(9)15-5/h4,15H,1-3H3
InChIKeyQSIVSPHJMLSKAW-UHFFFAOYSA-N
XLogP2.55
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxy-3-methyl-1H-indole-2-carboxylic acid
CID 649614
5-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 674292
Ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 616235
6,8-dimethoxy-3-methyl-9H-carbazole-1,4-dione
CID 162651903
Methyl 7-methoxy-1H-indole-3-carboxylate
CID 10013179
1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
7-Methoxy-1H-indole-3-carboxylic acid
CID 15067967
methyl 7-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 86812366
8-methoxy-3-methyl-9H-carbazole-1,4-dione
CID 14831888
8-methoxy-2-methyl-9H-carbazole-1,4-dione
CID 14831906
ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate
CID 127030522
5-Methoxy-2-trifluoromethyl-indole-3-carbaldehyde
CID 57443533

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate (CID 170903598) is methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2c(OC)c(F)cc(F)c12.
What is the InChIKey of methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate?
The InChIKey is QSIVSPHJMLSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3/c1-5-8(12(16)18-3)9-6(13)4-7(14)11(17-2)10(9)15-5/h4,15H,1-3H3.
What are the key properties of methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate?
methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate has a molecular weight of 255.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 170903598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).