methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate

C10H8FNO3 — CID 131390068

IUPACmethyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(O)c(F)ccc2[nH]1
InChIInChI=1S/C10H8FNO3/c1-15-10(14)8-4-5-7(12-8)3-2-6(11)9(5)13/h2-4,12-13H,1H3
InChIKeyBPPCQHCZCJTMLX-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.80
Rot. Bonds1

About methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate

methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate (PubChem CID 131390068) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
PubChem CID131390068
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Namemethyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(O)c(F)ccc2[nH]1
InChIInChI=1S/C10H8FNO3/c1-15-10(14)8-4-5-7(12-8)3-2-6(11)9(5)13/h2-4,12-13H,1H3
InChIKeyBPPCQHCZCJTMLX-UHFFFAOYSA-N
XLogP1.80
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
methyl 4-bromo-5-iodo-1H-indole-2-carboxylate
CID 147093940
methyl 8-chloro-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517685
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 2741057
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
CID 176600119
4,5-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171750600
methyl 5-methylsulfanyl-1H-indole-2-carboxylate
CID 145163605

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate (CID 131390068) is methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(O)c(F)ccc2[nH]1.
What is the InChIKey of methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate?
The InChIKey is BPPCQHCZCJTMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c1-15-10(14)8-4-5-7(12-8)3-2-6(11)9(5)13/h2-4,12-13H,1H3.
What are the key properties of methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate?
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate has a molecular weight of 209.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate is sourced from PubChem (CID 131390068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).