3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine

C9H7BrClN3 — CID 70683110

IUPAC3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine
SMILESClc1ncc(Cn2ccnc2)cc1Br
InChIInChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2
InChIKeyQHUNWISICRWPTM-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.74
Rot. Bonds2

About 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine

3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 70683110) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine
PubChem CID70683110
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine
SMILESClc1ncc(Cn2ccnc2)cc1Br
InChIInChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2
InChIKeyQHUNWISICRWPTM-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.74
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 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine (CID 70683110) is 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine is Clc1ncc(Cn2ccnc2)cc1Br.
What is the InChIKey of 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is QHUNWISICRWPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2.
What are the key properties of 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine?
3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 272.53 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 70683110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).