2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine

C14H9BrClN3 — CID 90370615

IUPAC2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESClc1cccc(-c2ncc(-c3ccc(Br)nc3)[nH]2)c1
InChIInChI=1S/C14H9BrClN3/c15-13-5-4-10(7-17-13)12-8-18-14(19-12)9-2-1-3-11(16)6-9/h1-8H,(H,18,19)
InChIKeyUXNMFKSXUOBXQK-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.55
Rot. Bonds2

About 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine

2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 90370615) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID90370615
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESClc1cccc(-c2ncc(-c3ccc(Br)nc3)[nH]2)c1
InChIInChI=1S/C14H9BrClN3/c15-13-5-4-10(7-17-13)12-8-18-14(19-12)9-2-1-3-11(16)6-9/h1-8H,(H,18,19)
InChIKeyUXNMFKSXUOBXQK-UHFFFAOYSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.55
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-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine (CID 90370615) is 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine is Clc1cccc(-c2ncc(-c3ccc(Br)nc3)[nH]2)c1.
What is the InChIKey of 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is UXNMFKSXUOBXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-13-5-4-10(7-17-13)12-8-18-14(19-12)9-2-1-3-11(16)6-9/h1-8H,(H,18,19).
What are the key properties of 2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine?
2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 334.60 g/mol, XLogP of 4.55, 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-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 90370615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).