2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one

C13H7ClFN3O — CID 135967045

IUPAC2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C13H7ClFN3O/c14-13-17-10-6-5-9(16-11(10)12(19)18-13)7-1-3-8(15)4-2-7/h1-6H,(H,17,18,19)
InChIKeyDJMFZLLNYUJDRR-UHFFFAOYSA-N
MW275.67 g/mol
LogP2.78
Rot. Bonds1

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

2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 135967045) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID135967045
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C13H7ClFN3O/c14-13-17-10-6-5-9(16-11(10)12(19)18-13)7-1-3-8(15)4-2-7/h1-6H,(H,17,18,19)
InChIKeyDJMFZLLNYUJDRR-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one (CID 135967045) is 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is DJMFZLLNYUJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-13-17-10-6-5-9(16-11(10)12(19)18-13)7-1-3-8(15)4-2-7/h1-6H,(H,17,18,19).
What are the key properties of 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 275.67 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135967045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).