6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione

C15H14ClFN2O2 — CID 144985812

IUPAC6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESC=C/C(=C\C(F)=C/C)C1(C)NC(=O)c2ccc(Cl)c(=O)n21
InChIInChI=1S/C15H14ClFN2O2/c1-4-9(8-10(17)5-2)15(3)18-13(20)12-7-6-11(16)14(21)19(12)15/h4-8H,1H2,2-3H3,(H,18,20)/b9-8+,10-5+
InChIKeyGTBWNBFAQUGXKC-VZGHUFTCSA-N
MW308.74 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione

6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 144985812) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID144985812
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESC=C/C(=C\C(F)=C/C)C1(C)NC(=O)c2ccc(Cl)c(=O)n21
InChIInChI=1S/C15H14ClFN2O2/c1-4-9(8-10(17)5-2)15(3)18-13(20)12-7-6-11(16)14(21)19(12)15/h4-8H,1H2,2-3H3,(H,18,20)/b9-8+,10-5+
InChIKeyGTBWNBFAQUGXKC-VZGHUFTCSA-N
XLogP2.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 144985812) is 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione is C=C/C(=C\C(F)=C/C)C1(C)NC(=O)c2ccc(Cl)c(=O)n21.
What is the InChIKey of 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is GTBWNBFAQUGXKC-VZGHUFTCSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-4-9(8-10(17)5-2)15(3)18-13(20)12-7-6-11(16)14(21)19(12)15/h4-8H,1H2,2-3H3,(H,18,20)/b9-8+,10-5+.
What are the key properties of 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 308.74 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 144985812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).