5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate

C12H14FNO3 — CID 144996572

IUPAC5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
SMILESCOC=O.COc1cc2[nH]c(C)cc2cc1F
InChIInChI=1S/C10H10FNO.C2H4O2/c1-6-3-7-4-8(11)10(13-2)5-9(7)12-6;1-4-2-3/h3-5,12H,1-2H3;2H,1H3
InChIKeyOBDPBIWMPPZPCF-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.41
Rot. Bonds2

About 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate

5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate (PubChem CID 144996572) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate.

Molecular Properties

Compound Name5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
PubChem CID144996572
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
SMILESCOC=O.COc1cc2[nH]c(C)cc2cc1F
InChIInChI=1S/C10H10FNO.C2H4O2/c1-6-3-7-4-8(11)10(13-2)5-9(7)12-6;1-4-2-3/h3-5,12H,1-2H3;2H,1H3
InChIKeyOBDPBIWMPPZPCF-UHFFFAOYSA-N
XLogP2.41
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 105459946
5-fluoro-2,6-dimethyl-1H-indole
CID 130063636
carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
CID 161417002
6-chloro-5-fluoro-2-methyl-1H-indole
CID 130063681
6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole
CID 166888935
5-fluoro-6-(isocyanatomethyl)-2-methyl-1H-indole
CID 117292389
4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine
CID 117336849
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
7-fluoro-6-methoxy-2H-isoquinolin-3-one
CID 144609848
5-methoxy-6-methyl-1H-indole-2-carbaldehyde
CID 82404708
5-fluoro-6-methoxy-2-methyl-1-benzothiophene
CID 131091519

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate?
The IUPAC name of 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate (CID 144996572) is 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate.
What is the SMILES notation for 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate?
The canonical SMILES for 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate is COC=O.COc1cc2[nH]c(C)cc2cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate?
The InChIKey is OBDPBIWMPPZPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO.C2H4O2/c1-6-3-7-4-8(11)10(13-2)5-9(7)12-6;1-4-2-3/h3-5,12H,1-2H3;2H,1H3.
What are the key properties of 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate?
5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate has a molecular weight of 239.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate is sourced from PubChem (CID 144996572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).