2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine

C14H8BrClFN3 — CID 87575688

IUPAC2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(Br)nc2)[nH]1
InChIInChI=1S/C14H8BrClFN3/c15-12-5-4-8(6-18-12)11-7-19-14(20-11)13-9(16)2-1-3-10(13)17/h1-7H,(H,19,20)
InChIKeyKMBOSIGFCZAIES-UHFFFAOYSA-N
MW352.59 g/mol
LogP4.69
Rot. Bonds2

About 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine

2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 87575688) has the molecular formula C14H8BrClFN3 and a molecular weight of 352.59 g/mol. Its IUPAC name is 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID87575688
Molecular FormulaC14H8BrClFN3
Molecular Weight352.59 g/mol
Exact Mass350.96
IUPAC Name2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(Br)nc2)[nH]1
InChIInChI=1S/C14H8BrClFN3/c15-12-5-4-8(6-18-12)11-7-19-14(20-11)13-9(16)2-1-3-10(13)17/h1-7H,(H,19,20)
InChIKeyKMBOSIGFCZAIES-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 87575688) is 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine is Fc1cccc(Cl)c1-c1ncc(-c2ccc(Br)nc2)[nH]1.
What is the InChIKey of 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is KMBOSIGFCZAIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFN3/c15-12-5-4-8(6-18-12)11-7-19-14(20-11)13-9(16)2-1-3-10(13)17/h1-7H,(H,19,20).
What are the key properties of 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine?
2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 352.59 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 87575688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).