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

C7H4FN3O — CID 71303963

IUPAC6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C1N=CN=C2C=NC(F)C=C12
InChIInChI=1S/C7H4FN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3,6H
InChIKeyPHCWQFYQOUGWMW-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.30
Rot. Bonds

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

6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 71303963) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID71303963
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C1N=CN=C2C=NC(F)C=C12
InChIInChI=1S/C7H4FN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3,6H
InChIKeyPHCWQFYQOUGWMW-UHFFFAOYSA-N
XLogP0.30
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-6H-pyrido[3,4-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

7-fluoro-6H-quinazolin-4-one
CID 90958016
6-fluoro-6H-quinazolin-4-one
CID 71303964
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
Pyrimido[4,5-g]quinazoline-4,9-dione
CID 20244493
Pyrido[4,3-g]quinazoline-4,9-dione
CID 68415096
8H-pyrido[3,4-d]pyrimidin-4-one
CID 150075196
6H-quinazolin-4-one
CID 165178648
6-chloro-6H-pyrido[3,4-d]pyrimidin-4-one
CID 76845596
6-Ethenylidenequinazolin-4-one
CID 77605376
N-(4-oxoquinazolin-6-ylidene)acetamide
CID 78168904
6-bromo-2-methyl-6H-pyrido[3,4-d]pyrimidin-4-one
CID 178189811

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one (CID 71303963) is 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one is O=C1N=CN=C2C=NC(F)C=C12.
What is the InChIKey of 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PHCWQFYQOUGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3,6H.
What are the key properties of 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one?
6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 165.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 71303963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).