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

C13H10N4O3 — CID 12903739

IUPAC2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc([N+](=O)[O-])cc2)Nc2ncccc21
InChIInChI=1S/C13H10N4O3/c18-13-10-2-1-7-14-12(10)15-11(16-13)8-3-5-9(6-4-8)17(19)20/h1-7,11H,(H,14,15)(H,16,18)
InChIKeyMIAFKOUDAIHDIM-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.84
Rot. Bonds2

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

2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 12903739) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID12903739
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc([N+](=O)[O-])cc2)Nc2ncccc21
InChIInChI=1S/C13H10N4O3/c18-13-10-2-1-7-14-12(10)15-11(16-13)8-3-5-9(6-4-8)17(19)20/h1-7,11H,(H,14,15)(H,16,18)
InChIKeyMIAFKOUDAIHDIM-UHFFFAOYSA-N
XLogP1.84
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 12903739) is 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1NC(c2ccc([N+](=O)[O-])cc2)Nc2ncccc21.
What is the InChIKey of 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MIAFKOUDAIHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13-10-2-1-7-14-12(10)15-11(16-13)8-3-5-9(6-4-8)17(19)20/h1-7,11H,(H,14,15)(H,16,18).
What are the key properties of 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 270.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 12903739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).