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

C7H4FN3O — CID 135456619

IUPAC7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(F)ncc12
InChIInChI=1S/C7H4FN3O/c8-6-1-5-4(2-9-6)7(12)11-3-10-5/h1-3H,(H,10,11,12)
InChIKeyLWRUMQJSJBZUCC-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.46
Rot. Bonds

About 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one

7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135456619) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135456619
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(F)ncc12
InChIInChI=1S/C7H4FN3O/c8-6-1-5-4(2-9-6)7(12)11-3-10-5/h1-3H,(H,10,11,12)
InChIKeyLWRUMQJSJBZUCC-UHFFFAOYSA-N
XLogP0.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135456619) is 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one is O=c1[nH]cnc2cc(F)ncc12.
What is the InChIKey of 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LWRUMQJSJBZUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-6-1-5-4(2-9-6)7(12)11-3-10-5/h1-3H,(H,10,11,12).
What are the key properties of 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one?
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 165.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135456619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).