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

C13H9N5O5 — CID 10064275

IUPAC6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc([N+](=O)[O-])cc2)Nc2ncc([N+](=O)[O-])cc21
InChIInChI=1S/C13H9N5O5/c19-13-10-5-9(18(22)23)6-14-12(10)15-11(16-13)7-1-3-8(4-2-7)17(20)21/h1-6,11H,(H,14,15)(H,16,19)
InChIKeyZFPJRZXTDMHAOH-UHFFFAOYSA-N
MW315.25 g/mol
LogP1.75
Rot. Bonds3

About 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 10064275) has the molecular formula C13H9N5O5 and a molecular weight of 315.25 g/mol. Its IUPAC name is 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID10064275
Molecular FormulaC13H9N5O5
Molecular Weight315.25 g/mol
Exact Mass315.06
IUPAC Name6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc([N+](=O)[O-])cc2)Nc2ncc([N+](=O)[O-])cc21
InChIInChI=1S/C13H9N5O5/c19-13-10-5-9(18(22)23)6-14-12(10)15-11(16-13)7-1-3-8(4-2-7)17(20)21/h1-6,11H,(H,14,15)(H,16,19)
InChIKeyZFPJRZXTDMHAOH-UHFFFAOYSA-N
XLogP1.75
TPSA140.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
CID 45113124
(2S)-6-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 129390666
5-(4-nitrophenyl)-1,2,4-triazolidine-3-thione
CID 78348781
6-nitro-2-pyridin-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 2796989
5-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrimidin-4-one
CID 142765184
(2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95289569
(2R)-6-nitro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 7176829
2-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyphenyl]-6-nitro-2,3-dihydro-1H-quinazolin-4-one
CID 172562176
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
(3S)-3-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 10798306
3-methyl-7-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 4860868
4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
CID 67815214

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 10064275) is 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1NC(c2ccc([N+](=O)[O-])cc2)Nc2ncc([N+](=O)[O-])cc21.
What is the InChIKey of 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZFPJRZXTDMHAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O5/c19-13-10-5-9(18(22)23)6-14-12(10)15-11(16-13)7-1-3-8(4-2-7)17(20)21/h1-6,11H,(H,14,15)(H,16,19).
What are the key properties of 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 315.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10064275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).