4-(2-bromo-3-methylbutyl)-3-chloropyridine

C10H13BrClN — CID 79841432

IUPAC4-(2-bromo-3-methylbutyl)-3-chloropyridine
SMILESCC(C)C(Br)Cc1ccncc1Cl
InChIInChI=1S/C10H13BrClN/c1-7(2)9(11)5-8-3-4-13-6-10(8)12/h3-4,6-7,9H,5H2,1-2H3
InChIKeyOPPWWSJNCKVNIX-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.70
Rot. Bonds3

About 4-(2-bromo-3-methylbutyl)-3-chloropyridine

4-(2-bromo-3-methylbutyl)-3-chloropyridine (PubChem CID 79841432) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 4-(2-bromo-3-methylbutyl)-3-chloropyridine.

Molecular Properties

Compound Name4-(2-bromo-3-methylbutyl)-3-chloropyridine
PubChem CID79841432
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name4-(2-bromo-3-methylbutyl)-3-chloropyridine
SMILESCC(C)C(Br)Cc1ccncc1Cl
InChIInChI=1S/C10H13BrClN/c1-7(2)9(11)5-8-3-4-13-6-10(8)12/h3-4,6-7,9H,5H2,1-2H3
InChIKeyOPPWWSJNCKVNIX-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.70
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-bromohexyl)-3-chloropyridine
CID 112656103
3-chloro-4-(2-chloro-4,5,5-trimethylhexyl)pyridine
CID 112655993
4-(2-bromo-3-methyl-3-methylsulfonylbutyl)-3-chloropyridine
CID 112656171
4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine
CID 112656071
4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine
CID 114824018
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
4-[2-bromo-4-(2-methylphenyl)butyl]-3-chloropyridine
CID 112656153
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
CID 104845244
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-methylbutyl)-3-chloropyridine?
The IUPAC name of 4-(2-bromo-3-methylbutyl)-3-chloropyridine (CID 79841432) is 4-(2-bromo-3-methylbutyl)-3-chloropyridine.
What is the SMILES notation for 4-(2-bromo-3-methylbutyl)-3-chloropyridine?
The canonical SMILES for 4-(2-bromo-3-methylbutyl)-3-chloropyridine is CC(C)C(Br)Cc1ccncc1Cl.
What is the InChIKey of 4-(2-bromo-3-methylbutyl)-3-chloropyridine?
The InChIKey is OPPWWSJNCKVNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-7(2)9(11)5-8-3-4-13-6-10(8)12/h3-4,6-7,9H,5H2,1-2H3.
What are the key properties of 4-(2-bromo-3-methylbutyl)-3-chloropyridine?
4-(2-bromo-3-methylbutyl)-3-chloropyridine has a molecular weight of 262.58 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methylbutyl)-3-chloropyridine is sourced from PubChem (CID 79841432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).