2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one

C8H6FN3O — CID 159669855

IUPAC2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(CF)ncc12
InChIInChI=1S/C8H6FN3O/c9-3-7-11-4-5-6(12-7)1-2-10-8(5)13/h1-2,4H,3H2,(H,10,13)
InChIKeyMTWBONARDLNGHT-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.79
Rot. Bonds1

About 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one

2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 159669855) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID159669855
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(CF)ncc12
InChIInChI=1S/C8H6FN3O/c9-3-7-11-4-5-6(12-7)1-2-10-8(5)13/h1-2,4H,3H2,(H,10,13)
InChIKeyMTWBONARDLNGHT-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 159669855) is 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one is O=c1[nH]ccc2nc(CF)ncc12.
What is the InChIKey of 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is MTWBONARDLNGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-3-7-11-4-5-6(12-7)1-2-10-8(5)13/h1-2,4H,3H2,(H,10,13).
What are the key properties of 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 179.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 159669855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).