methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate

C12H9FN2O2 — CID 141490537

IUPACmethyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)[nH]c1ccc(F)cc12
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)10-5-8-7-4-6(13)2-3-9(7)14-11(8)15-10/h2-5,14-15H,1H3
InChIKeyCDDWXXNLPDIIIB-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.57
Rot. Bonds1

About methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate

methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate (PubChem CID 141490537) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
PubChem CID141490537
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Namemethyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)[nH]c1ccc(F)cc12
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)10-5-8-7-4-6(13)2-3-9(7)14-11(8)15-10/h2-5,14-15H,1H3
InChIKeyCDDWXXNLPDIIIB-UHFFFAOYSA-N
XLogP2.57
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6918825
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate
CID 68616120
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
methyl 2-(4-bromophenyl)-5-fluoro-1H-indole-3-carboxylate
CID 172606531
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 2741057
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate?
The IUPAC name of methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate (CID 141490537) is methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate.
What is the SMILES notation for methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate?
The canonical SMILES for methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate is COC(=O)c1cc2c([nH]1)[nH]c1ccc(F)cc12.
What is the InChIKey of methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate?
The InChIKey is CDDWXXNLPDIIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-12(16)10-5-8-7-4-6(13)2-3-9(7)14-11(8)15-10/h2-5,14-15H,1H3.
What are the key properties of methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate?
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate has a molecular weight of 232.21 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate is sourced from PubChem (CID 141490537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).