methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate

C13H10FNO3 — CID 176564252

IUPACmethyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)-c1ccc(F)cc1OC2
InChIInChI=1S/C13H10FNO3/c1-17-13(16)10-4-7-6-18-11-5-8(14)2-3-9(11)12(7)15-10/h2-5,15H,6H2,1H3
InChIKeyXYGMCWKCUJFWLM-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.50
Rot. Bonds1

About methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate

methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (PubChem CID 176564252) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
PubChem CID176564252
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Namemethyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)-c1ccc(F)cc1OC2
InChIInChI=1S/C13H10FNO3/c1-17-13(16)10-4-7-6-18-11-5-8(14)2-3-9(11)12(7)15-10/h2-5,15H,6H2,1H3
InChIKeyXYGMCWKCUJFWLM-UHFFFAOYSA-N
XLogP2.50
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (CID 176564252) is methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)-c1ccc(F)cc1OC2.
What is the InChIKey of methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The InChIKey is XYGMCWKCUJFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-17-13(16)10-4-7-6-18-11-5-8(14)2-3-9(11)12(7)15-10/h2-5,15H,6H2,1H3.
What are the key properties of methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate has a molecular weight of 247.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is sourced from PubChem (CID 176564252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).