methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate

C15H12N2O3 — CID 126459229

IUPACmethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(N2Cc3ccncc3C2=O)cc1
InChIInChI=1S/C15H12N2O3/c1-20-15(19)10-2-4-12(5-3-10)17-9-11-6-7-16-8-13(11)14(17)18/h2-8H,9H2,1H3
InChIKeyMTVCLIWVOWCPMA-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.03
Rot. Bonds2

About methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate

methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate (PubChem CID 126459229) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate
PubChem CID126459229
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namemethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(N2Cc3ccncc3C2=O)cc1
InChIInChI=1S/C15H12N2O3/c1-20-15(19)10-2-4-12(5-3-10)17-9-11-6-7-16-8-13(11)14(17)18/h2-8H,9H2,1H3
InChIKeyMTVCLIWVOWCPMA-UHFFFAOYSA-N
XLogP2.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate?
The IUPAC name of methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate (CID 126459229) is methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate is COC(=O)c1ccc(N2Cc3ccncc3C2=O)cc1.
What is the InChIKey of methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate?
The InChIKey is MTVCLIWVOWCPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-15(19)10-2-4-12(5-3-10)17-9-11-6-7-16-8-13(11)14(17)18/h2-8H,9H2,1H3.
What are the key properties of methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate?
methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate has a molecular weight of 268.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate is sourced from PubChem (CID 126459229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).