2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C11H9ClFN3 — CID 167425848

IUPAC2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1cc(Cl)ncc1-c1cn2c(n1)CCC2
InChIInChI=1S/C11H9ClFN3/c12-10-4-8(13)7(5-14-10)9-6-16-3-1-2-11(16)15-9/h4-6H,1-3H2
InChIKeyLNVPAIBJCDITCK-UHFFFAOYSA-N
MW237.67 g/mol
LogP2.68
Rot. Bonds1

About 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 167425848) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID167425848
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1cc(Cl)ncc1-c1cn2c(n1)CCC2
InChIInChI=1S/C11H9ClFN3/c12-10-4-8(13)7(5-14-10)9-6-16-3-1-2-11(16)15-9/h4-6H,1-3H2
InChIKeyLNVPAIBJCDITCK-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 167425848) is 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Fc1cc(Cl)ncc1-c1cn2c(n1)CCC2.
What is the InChIKey of 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is LNVPAIBJCDITCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-10-4-8(13)7(5-14-10)9-6-16-3-1-2-11(16)15-9/h4-6H,1-3H2.
What are the key properties of 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 237.67 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 167425848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).