6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one

C14H12ClN3O — CID 70671000

IUPAC6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCN1c2nc(-c3ccccc3)c(=O)[nH]c2C=CC1Cl
InChIInChI=1S/C14H12ClN3O/c1-18-11(15)8-7-10-13(18)17-12(14(19)16-10)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,16,19)
InChIKeyMBEXZYOGVWPNOI-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.46
Rot. Bonds1

About 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one

6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 70671000) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID70671000
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCN1c2nc(-c3ccccc3)c(=O)[nH]c2C=CC1Cl
InChIInChI=1S/C14H12ClN3O/c1-18-11(15)8-7-10-13(18)17-12(14(19)16-10)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,16,19)
InChIKeyMBEXZYOGVWPNOI-UHFFFAOYSA-N
XLogP2.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one (CID 70671000) is 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one is CN1c2nc(-c3ccccc3)c(=O)[nH]c2C=CC1Cl.
What is the InChIKey of 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is MBEXZYOGVWPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-18-11(15)8-7-10-13(18)17-12(14(19)16-10)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,16,19).
What are the key properties of 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one?
6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 273.72 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3-phenyl-1,6-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70671000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).