8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C13H13ClF2N2O2 — CID 162572202

IUPAC8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Cl)c2n(c1=O)C1(CCC(F)(F)CC1)NC2=O
InChIInChI=1S/C13H13ClF2N2O2/c1-7-6-8(14)9-10(19)17-13(18(9)11(7)20)4-2-12(15,16)3-5-13/h6H,2-5H2,1H3,(H,17,19)
InChIKeyIARALXGQGUOCQW-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.42
Rot. Bonds

About 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 162572202) has the molecular formula C13H13ClF2N2O2 and a molecular weight of 302.71 g/mol. Its IUPAC name is 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID162572202
Molecular FormulaC13H13ClF2N2O2
Molecular Weight302.71 g/mol
Exact Mass302.06
IUPAC Name8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Cl)c2n(c1=O)C1(CCC(F)(F)CC1)NC2=O
InChIInChI=1S/C13H13ClF2N2O2/c1-7-6-8(14)9-10(19)17-13(18(9)11(7)20)4-2-12(15,16)3-5-13/h6H,2-5H2,1H3,(H,17,19)
InChIKeyIARALXGQGUOCQW-UHFFFAOYSA-N
XLogP2.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 162572202) is 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Cl)c2n(c1=O)C1(CCC(F)(F)CC1)NC2=O.
What is the InChIKey of 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is IARALXGQGUOCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O2/c1-7-6-8(14)9-10(19)17-13(18(9)11(7)20)4-2-12(15,16)3-5-13/h6H,2-5H2,1H3,(H,17,19).
What are the key properties of 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 302.71 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 162572202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).