3-(2-bromophenyl)-2-chloropyridine

C11H7BrClN — CID 129321391

IUPAC3-(2-bromophenyl)-2-chloropyridine
SMILESClc1ncccc1-c1ccccc1Br
InChIInChI=1S/C11H7BrClN/c12-10-6-2-1-4-8(10)9-5-3-7-14-11(9)13/h1-7H
InChIKeyRMQOLXCUYOWIFU-UHFFFAOYSA-N
MW268.54 g/mol
LogP4.16
Rot. Bonds1

About 3-(2-bromophenyl)-2-chloropyridine

3-(2-bromophenyl)-2-chloropyridine (PubChem CID 129321391) has the molecular formula C11H7BrClN and a molecular weight of 268.54 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-chloropyridine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-chloropyridine
PubChem CID129321391
Molecular FormulaC11H7BrClN
Molecular Weight268.54 g/mol
Exact Mass266.95
IUPAC Name3-(2-bromophenyl)-2-chloropyridine
SMILESClc1ncccc1-c1ccccc1Br
InChIInChI=1S/C11H7BrClN/c12-10-6-2-1-4-8(10)9-5-3-7-14-11(9)13/h1-7H
InChIKeyRMQOLXCUYOWIFU-UHFFFAOYSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Zimelidine
CID 5365247
Zimelidine Dihydrochloride
CID 6436006
2-(4'-Chlorobenzyl)pyridine
CID 78054
Isoquinoline, 1-chloro-
CID 140539
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
2-Chloro-5-phenylnicotinonitrile
CID 2764043
4-Bromo-1-chloroisoquinoline
CID 459766
4-(4'-Chlorobenzyl)pyridine
CID 78124
5-Bromoisoquinoline
CID 736487
2-Chloro-5-phenylpyridine
CID 2762868
7-Bromo-1-Chloroisoquinoline
CID 6502024

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-chloropyridine?
The IUPAC name of 3-(2-bromophenyl)-2-chloropyridine (CID 129321391) is 3-(2-bromophenyl)-2-chloropyridine.
What is the SMILES notation for 3-(2-bromophenyl)-2-chloropyridine?
The canonical SMILES for 3-(2-bromophenyl)-2-chloropyridine is Clc1ncccc1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-2-chloropyridine?
The InChIKey is RMQOLXCUYOWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN/c12-10-6-2-1-4-8(10)9-5-3-7-14-11(9)13/h1-7H.
What are the key properties of 3-(2-bromophenyl)-2-chloropyridine?
3-(2-bromophenyl)-2-chloropyridine has a molecular weight of 268.54 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-chloropyridine is sourced from PubChem (CID 129321391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).