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

C7H4FN3O — CID 135427088

IUPAC6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccc(F)nc12
InChIInChI=1S/C7H4FN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)
InChIKeyPKDOHUMRKCAPRY-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.46
Rot. Bonds

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

6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 135427088) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID135427088
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccc(F)nc12
InChIInChI=1S/C7H4FN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)
InChIKeyPKDOHUMRKCAPRY-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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Related Compounds

6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
CID 137032185
6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 155340602
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 136929412
6-(3-methylsulfonylphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 166400304
2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile
CID 167979770
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135456619
6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 146212489
8-fluoro-9-methyl-1H-purin-6-one
CID 166765010
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
CID 135410720
6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167918056
methane;3H-quinazolin-4-one
CID 143348425
2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid
CID 167791732

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one (CID 135427088) is 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2ccc(F)nc12.
What is the InChIKey of 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is PKDOHUMRKCAPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12).
What are the key properties of 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one?
6-fluoro-3H-pyrido[3,2-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 6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135427088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).