6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one

C9H10ClN3O — CID 19932785

IUPAC6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCC1(C)Nc2nc(Cl)ccc2NC1=O
InChIInChI=1S/C9H10ClN3O/c1-9(2)8(14)11-5-3-4-6(10)12-7(5)13-9/h3-4H,1-2H3,(H,11,14)(H,12,13)
InChIKeyQGKJGXNQBAUDAQ-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.88
Rot. Bonds

About 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one

6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 19932785) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID19932785
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCC1(C)Nc2nc(Cl)ccc2NC1=O
InChIInChI=1S/C9H10ClN3O/c1-9(2)8(14)11-5-3-4-6(10)12-7(5)13-9/h3-4H,1-2H3,(H,11,14)(H,12,13)
InChIKeyQGKJGXNQBAUDAQ-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one (CID 19932785) is 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one is CC1(C)Nc2nc(Cl)ccc2NC1=O.
What is the InChIKey of 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is QGKJGXNQBAUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-9(2)8(14)11-5-3-4-6(10)12-7(5)13-9/h3-4H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 19932785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).