6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one

C7H4N4O3 — CID 137302564

IUPAC6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C7H4N4O3/c12-7-5-1-4(11(13)14)2-8-6(5)9-3-10-7/h1-3H,(H,8,9,10,12)
InChIKeyIHNPSZKFGZXAEL-UHFFFAOYSA-N
MW192.13 g/mol
LogP0.23
Rot. Bonds1

About 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one

6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137302564) has the molecular formula C7H4N4O3 and a molecular weight of 192.13 g/mol. Its IUPAC name is 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137302564
Molecular FormulaC7H4N4O3
Molecular Weight192.13 g/mol
Exact Mass192.03
IUPAC Name6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C7H4N4O3/c12-7-5-1-4(11(13)14)2-8-6(5)9-3-10-7/h1-3H,(H,8,9,10,12)
InChIKeyIHNPSZKFGZXAEL-UHFFFAOYSA-N
XLogP0.23
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
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'}

Analyze 6-nitro-3H-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

8-bromo-6-nitro-3H-quinazolin-4-one
CID 137247524
2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 171705544
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 86207952
5-nitro-3-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-b]pyridine
CID 67089093
6-bromo-8-nitro-3H-quinazolin-4-one
CID 137317043
6-hydroxy-7-nitro-3H-quinazolin-4-one
CID 135616189
6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 172684386
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523
N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
CID 135618491
6-bromo-7-methyl-8-nitro-3H-quinazolin-4-one
CID 135894579
8-amino-7-(3-nitrophenyl)-1H-purin-6-one
CID 137254738

Frequently Asked Questions

What is the IUPAC name of 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137302564) is 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2ncc([N+](=O)[O-])cc12.
What is the InChIKey of 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IHNPSZKFGZXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O3/c12-7-5-1-4(11(13)14)2-8-6(5)9-3-10-7/h1-3H,(H,8,9,10,12).
What are the key properties of 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one?
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 192.13 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137302564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).