4-(2-bromohexyl)-3-chloropyridine

C11H15BrClN — CID 112656103

IUPAC4-(2-bromohexyl)-3-chloropyridine
SMILESCCCCC(Br)Cc1ccncc1Cl
InChIInChI=1S/C11H15BrClN/c1-2-3-4-10(12)7-9-5-6-14-8-11(9)13/h5-6,8,10H,2-4,7H2,1H3
InChIKeyXGXSYJRIPMVUPB-UHFFFAOYSA-N
MW276.60 g/mol
LogP4.23
Rot. Bonds5

About 4-(2-bromohexyl)-3-chloropyridine

4-(2-bromohexyl)-3-chloropyridine (PubChem CID 112656103) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 4-(2-bromohexyl)-3-chloropyridine.

Molecular Properties

Compound Name4-(2-bromohexyl)-3-chloropyridine
PubChem CID112656103
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name4-(2-bromohexyl)-3-chloropyridine
SMILESCCCCC(Br)Cc1ccncc1Cl
InChIInChI=1S/C11H15BrClN/c1-2-3-4-10(12)7-9-5-6-14-8-11(9)13/h5-6,8,10H,2-4,7H2,1H3
InChIKeyXGXSYJRIPMVUPB-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202
4-[2-bromo-4-(2-methylphenyl)butyl]-3-chloropyridine
CID 112656153
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
4-[2-(4-butylcyclohexyl)-2-chloroethyl]-3-chloropyridine
CID 115985104
1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
4-(2-bromo-3-methyl-3-methylsulfonylbutyl)-3-chloropyridine
CID 112656171
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
1-(3-chloro-4-pyridinyl)-3-propylhexan-2-one
CID 112655389
4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine
CID 112656071

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromohexyl)-3-chloropyridine?
The IUPAC name of 4-(2-bromohexyl)-3-chloropyridine (CID 112656103) is 4-(2-bromohexyl)-3-chloropyridine.
What is the SMILES notation for 4-(2-bromohexyl)-3-chloropyridine?
The canonical SMILES for 4-(2-bromohexyl)-3-chloropyridine is CCCCC(Br)Cc1ccncc1Cl.
What is the InChIKey of 4-(2-bromohexyl)-3-chloropyridine?
The InChIKey is XGXSYJRIPMVUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-2-3-4-10(12)7-9-5-6-14-8-11(9)13/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of 4-(2-bromohexyl)-3-chloropyridine?
4-(2-bromohexyl)-3-chloropyridine has a molecular weight of 276.60 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromohexyl)-3-chloropyridine is sourced from PubChem (CID 112656103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).