2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C13H10ClN3O — CID 122182444

IUPAC2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc(Cl)cc2)Nc2ncccc21
InChIInChI=1S/C13H10ClN3O/c14-9-5-3-8(4-6-9)11-16-12-10(13(18)17-11)2-1-7-15-12/h1-7,11H,(H,15,16)(H,17,18)
InChIKeyJBJHRALZMBCUCU-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.59
Rot. Bonds1

About 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 122182444) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID122182444
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc(Cl)cc2)Nc2ncccc21
InChIInChI=1S/C13H10ClN3O/c14-9-5-3-8(4-6-9)11-16-12-10(13(18)17-11)2-1-7-15-12/h1-7,11H,(H,15,16)(H,17,18)
InChIKeyJBJHRALZMBCUCU-UHFFFAOYSA-N
XLogP2.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 122182444) is 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1NC(c2ccc(Cl)cc2)Nc2ncccc21.
What is the InChIKey of 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JBJHRALZMBCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-9-5-3-8(4-6-9)11-16-12-10(13(18)17-11)2-1-7-15-12/h1-7,11H,(H,15,16)(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 259.70 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 122182444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).