4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one

C9H9ClN2O — CID 134177162

IUPAC4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(ccnc2Cl)C1=O
InChIInChI=1S/C9H9ClN2O/c1-2-12-5-7-6(9(12)13)3-4-11-8(7)10/h3-4H,2,5H2,1H3
InChIKeyYQVIRPVHDIBUPB-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.71
Rot. Bonds1

About 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one

4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134177162) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134177162
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(ccnc2Cl)C1=O
InChIInChI=1S/C9H9ClN2O/c1-2-12-5-7-6(9(12)13)3-4-11-8(7)10/h3-4H,2,5H2,1H3
InChIKeyYQVIRPVHDIBUPB-UHFFFAOYSA-N
XLogP1.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134177162) is 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one is CCN1Cc2c(ccnc2Cl)C1=O.
What is the InChIKey of 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YQVIRPVHDIBUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-2-12-5-7-6(9(12)13)3-4-11-8(7)10/h3-4H,2,5H2,1H3.
What are the key properties of 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 196.64 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).