6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one

C13H8FN3O — CID 10060229

IUPAC6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2cccnc2)c2cc(F)ccc12
InChIInChI=1S/C13H8FN3O/c14-9-3-4-10-11(6-9)12(16-17-13(10)18)8-2-1-5-15-7-8/h1-7H,(H,17,18)
InChIKeyRUPTVWGROCTLHF-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.12
Rot. Bonds1

About 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one

6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one (PubChem CID 10060229) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one
PubChem CID10060229
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2cccnc2)c2cc(F)ccc12
InChIInChI=1S/C13H8FN3O/c14-9-3-4-10-11(6-9)12(16-17-13(10)18)8-2-1-5-15-7-8/h1-7H,(H,17,18)
InChIKeyRUPTVWGROCTLHF-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one?
The IUPAC name of 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one (CID 10060229) is 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one.
What is the SMILES notation for 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one?
The canonical SMILES for 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one is O=c1[nH]nc(-c2cccnc2)c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one?
The InChIKey is RUPTVWGROCTLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-9-3-4-10-11(6-9)12(16-17-13(10)18)8-2-1-5-15-7-8/h1-7H,(H,17,18).
What are the key properties of 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one?
6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one has a molecular weight of 241.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one is sourced from PubChem (CID 10060229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).