6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one

C7H6ClN3O — CID 86697561

IUPAC6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C1CNc2ccc(Cl)nc2N1
InChIInChI=1S/C7H6ClN3O/c8-5-2-1-4-7(10-5)11-6(12)3-9-4/h1-2,9H,3H2,(H,10,11,12)
InChIKeyKMJARQBZUOZMQM-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.10
Rot. Bonds

About 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one

6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 86697561) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
PubChem CID86697561
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C1CNc2ccc(Cl)nc2N1
InChIInChI=1S/C7H6ClN3O/c8-5-2-1-4-7(10-5)11-6(12)3-9-4/h1-2,9H,3H2,(H,10,11,12)
InChIKeyKMJARQBZUOZMQM-UHFFFAOYSA-N
XLogP1.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.10
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-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one (CID 86697561) is 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one is O=C1CNc2ccc(Cl)nc2N1.
What is the InChIKey of 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is KMJARQBZUOZMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c8-5-2-1-4-7(10-5)11-6(12)3-9-4/h1-2,9H,3H2,(H,10,11,12).
What are the key properties of 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 183.60 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 86697561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).