sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate

C12H13FNNaO4 — CID 67227531

IUPACsodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cc(F)cc2[nH]1.C[O-].[Na+]
InChIInChI=1S/C11H10FNO3.CH3O.Na/c1-15-10-4-6(12)3-8-7(10)5-9(13-8)11(14)16-2;1-2;/h3-5,13H,1-2H3;1H3;/q;-1;+1
InChIKeyJGRIHRKMAFXQNX-UHFFFAOYSA-N
MW277.23 g/mol
LogP-1.92
Rot. Bonds2

About sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate

sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate (PubChem CID 67227531) has the molecular formula C12H13FNNaO4 and a molecular weight of 277.23 g/mol. Its IUPAC name is sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namesodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
PubChem CID67227531
Molecular FormulaC12H13FNNaO4
Molecular Weight277.23 g/mol
Exact Mass277.07
IUPAC Namesodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cc(F)cc2[nH]1.C[O-].[Na+]
InChIInChI=1S/C11H10FNO3.CH3O.Na/c1-15-10-4-6(12)3-8-7(10)5-9(13-8)11(14)16-2;1-2;/h3-5,13H,1-2H3;1H3;/q;-1;+1
InChIKeyJGRIHRKMAFXQNX-UHFFFAOYSA-N
XLogP-1.92
TPSA74.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate
CID 167525145
methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate
CID 141315476
methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate
CID 122232254
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
CID 155973516
methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
CID 131850530
methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699

Frequently Asked Questions

What is the IUPAC name of sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate?
The IUPAC name of sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate (CID 67227531) is sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(OC)cc(F)cc2[nH]1.C[O-].[Na+].
What is the InChIKey of sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate?
The InChIKey is JGRIHRKMAFXQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3.CH3O.Na/c1-15-10-4-6(12)3-8-7(10)5-9(13-8)11(14)16-2;1-2;/h3-5,13H,1-2H3;1H3;/q;-1;+1.
What are the key properties of sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate?
sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate has a molecular weight of 277.23 g/mol, XLogP of -1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 67227531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).