methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate

C16H14N2O3 — CID 46488563

IUPACmethyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H14N2O3/c1-21-16(20)13-7-4-6-12(17-13)15(19)18-10-9-11-5-2-3-8-14(11)18/h2-8H,9-10H2,1H3
InChIKeyDBGUFIIBKHBSHZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.07
Rot. Bonds2

About methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate

methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate (PubChem CID 46488563) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate
PubChem CID46488563
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H14N2O3/c1-21-16(20)13-7-4-6-12(17-13)15(19)18-10-9-11-5-2-3-8-14(11)18/h2-8H,9-10H2,1H3
InChIKeyDBGUFIIBKHBSHZ-UHFFFAOYSA-N
XLogP2.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate (CID 46488563) is methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate?
The InChIKey is DBGUFIIBKHBSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-16(20)13-7-4-6-12(17-13)15(19)18-10-9-11-5-2-3-8-14(11)18/h2-8H,9-10H2,1H3.
What are the key properties of methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate?
methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 46488563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).