3-bromo-2-chloro-4-cyclohexylpyridine

C11H13BrClN — CID 130138659

IUPAC3-bromo-2-chloro-4-cyclohexylpyridine
SMILESClc1nccc(C2CCCCC2)c1Br
InChIInChI=1S/C11H13BrClN/c12-10-9(6-7-14-11(10)13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyYSWFWBVQPWOIFX-UHFFFAOYSA-N
MW274.59 g/mol
LogP4.55
Rot. Bonds1

About 3-bromo-2-chloro-4-cyclohexylpyridine

3-bromo-2-chloro-4-cyclohexylpyridine (PubChem CID 130138659) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 3-bromo-2-chloro-4-cyclohexylpyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-4-cyclohexylpyridine
PubChem CID130138659
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name3-bromo-2-chloro-4-cyclohexylpyridine
SMILESClc1nccc(C2CCCCC2)c1Br
InChIInChI=1S/C11H13BrClN/c12-10-9(6-7-14-11(10)13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyYSWFWBVQPWOIFX-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 54.55
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

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5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
4-cyclopentylquinoline
CID 57273226
5-bromo-4-chloro-2-cyclooctylpyrimidine
CID 80603225
4-cyclopentylthieno[2,3-b]pyridine
CID 164709956
1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine
CID 166519062
2-bromo-4-cyclopropylpyridin-3-amine
CID 172992736
(3-bromo-2-chloro-4-pyridinyl)-trimethylsilane
CID 71419940
(3S)-1-[2-(3-bromo-2-chloro-4-pyridinyl)acetyl]piperidine-3-carboxamide
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(3-cyclohexyl-2-pyridinyl)phosphane
CID 174737395

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-4-cyclohexylpyridine?
The IUPAC name of 3-bromo-2-chloro-4-cyclohexylpyridine (CID 130138659) is 3-bromo-2-chloro-4-cyclohexylpyridine.
What is the SMILES notation for 3-bromo-2-chloro-4-cyclohexylpyridine?
The canonical SMILES for 3-bromo-2-chloro-4-cyclohexylpyridine is Clc1nccc(C2CCCCC2)c1Br.
What is the InChIKey of 3-bromo-2-chloro-4-cyclohexylpyridine?
The InChIKey is YSWFWBVQPWOIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-10-9(6-7-14-11(10)13)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 3-bromo-2-chloro-4-cyclohexylpyridine?
3-bromo-2-chloro-4-cyclohexylpyridine has a molecular weight of 274.59 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-4-cyclohexylpyridine is sourced from PubChem (CID 130138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).