methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate

C15H11F2NO2 — CID 67903145

IUPACmethyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate
SMILESCOC(=O)C1c2cc(F)cnc2-c2c(C)cc(F)cc21
InChIInChI=1S/C15H11F2NO2/c1-7-3-8(16)4-10-12(7)14-11(5-9(17)6-18-14)13(10)15(19)20-2/h3-6,13H,1-2H3
InChIKeyJIJIWRSQBKWNMG-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.95
Rot. Bonds1

About methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate

methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate (PubChem CID 67903145) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate
PubChem CID67903145
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Namemethyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate
SMILESCOC(=O)C1c2cc(F)cnc2-c2c(C)cc(F)cc21
InChIInChI=1S/C15H11F2NO2/c1-7-3-8(16)4-10-12(7)14-11(5-9(17)6-18-14)13(10)15(19)20-2/h3-6,13H,1-2H3
InChIKeyJIJIWRSQBKWNMG-UHFFFAOYSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate (CID 67903145) is methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate is COC(=O)C1c2cc(F)cnc2-c2c(C)cc(F)cc21.
What is the InChIKey of methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate?
The InChIKey is JIJIWRSQBKWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-7-3-8(16)4-10-12(7)14-11(5-9(17)6-18-14)13(10)15(19)20-2/h3-6,13H,1-2H3.
What are the key properties of methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate?
methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate has a molecular weight of 275.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,7-difluoro-9-methyl-5H-indeno[1,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 67903145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).