2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C15H12Cl2N2O — CID 11565772

IUPAC2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(C(Cl)Cl)ncc2CN1Cc1ccccc1
InChIInChI=1S/C15H12Cl2N2O/c16-14(17)13-6-12-11(7-18-13)9-19(15(12)20)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyDQTHKUMKEYOBTO-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.71
Rot. Bonds3

About 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 11565772) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID11565772
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(C(Cl)Cl)ncc2CN1Cc1ccccc1
InChIInChI=1S/C15H12Cl2N2O/c16-14(17)13-6-12-11(7-18-13)9-19(15(12)20)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyDQTHKUMKEYOBTO-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 11565772) is 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2cc(C(Cl)Cl)ncc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is DQTHKUMKEYOBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-14(17)13-6-12-11(7-18-13)9-19(15(12)20)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2.
What are the key properties of 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 307.18 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 11565772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).