2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C13H10ClFN2O3 — CID 15390589

IUPAC2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2=CCCCN2C(=O)N1c1cc(O)c(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O3/c14-7-5-8(15)10(6-11(7)18)17-12(19)9-3-1-2-4-16(9)13(17)20/h3,5-6,18H,1-2,4H2
InChIKeyKUBRZGMWLIIEEB-UHFFFAOYSA-N
MW296.69 g/mol
LogP2.63
Rot. Bonds1

About 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 15390589) has the molecular formula C13H10ClFN2O3 and a molecular weight of 296.69 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID15390589
Molecular FormulaC13H10ClFN2O3
Molecular Weight296.69 g/mol
Exact Mass296.04
IUPAC Name2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2=CCCCN2C(=O)N1c1cc(O)c(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O3/c14-7-5-8(15)10(6-11(7)18)17-12(19)9-3-1-2-4-16(9)13(17)20/h3,5-6,18H,1-2,4H2
InChIKeyKUBRZGMWLIIEEB-UHFFFAOYSA-N
XLogP2.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 15390589) is 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2=CCCCN2C(=O)N1c1cc(O)c(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is KUBRZGMWLIIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3/c14-7-5-8(15)10(6-11(7)18)17-12(19)9-3-1-2-4-16(9)13(17)20/h3,5-6,18H,1-2,4H2.
What are the key properties of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 296.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 15390589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).