4-(4-bromo-3-methylbutan-2-yl)pyridine

C10H14BrN — CID 83929850

IUPAC4-(4-bromo-3-methylbutan-2-yl)pyridine
SMILESCC(CBr)C(C)c1ccncc1
InChIInChI=1S/C10H14BrN/c1-8(7-11)9(2)10-3-5-12-6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyUJZSKDYCZRMVCV-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.22
Rot. Bonds3

About 4-(4-bromo-3-methylbutan-2-yl)pyridine

4-(4-bromo-3-methylbutan-2-yl)pyridine (PubChem CID 83929850) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-(4-bromo-3-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name4-(4-bromo-3-methylbutan-2-yl)pyridine
PubChem CID83929850
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-(4-bromo-3-methylbutan-2-yl)pyridine
SMILESCC(CBr)C(C)c1ccncc1
InChIInChI=1S/C10H14BrN/c1-8(7-11)9(2)10-3-5-12-6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyUJZSKDYCZRMVCV-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.22
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

3-(4-bromo-3-methylbutan-2-yl)pyridine
CID 83929749
4-methyl-2-pyridin-4-ylhexan-3-ol
CID 66461088
2-pyridin-4-ylpropane-1-thiol
CID 146504798
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine
CID 66455036
6-methyl-2-pyridin-4-ylheptan-3-ol
CID 66460886
4-pyridin-4-ylpentan-2-amine
CID 112714269
N-methyl-1,2-dipyridin-4-ylpropan-1-amine
CID 66446384
N,5-dimethyl-2-pyridin-4-ylhexan-3-amine
CID 66447939
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
CID 142237918

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylbutan-2-yl)pyridine?
The IUPAC name of 4-(4-bromo-3-methylbutan-2-yl)pyridine (CID 83929850) is 4-(4-bromo-3-methylbutan-2-yl)pyridine.
What is the SMILES notation for 4-(4-bromo-3-methylbutan-2-yl)pyridine?
The canonical SMILES for 4-(4-bromo-3-methylbutan-2-yl)pyridine is CC(CBr)C(C)c1ccncc1.
What is the InChIKey of 4-(4-bromo-3-methylbutan-2-yl)pyridine?
The InChIKey is UJZSKDYCZRMVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(7-11)9(2)10-3-5-12-6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 4-(4-bromo-3-methylbutan-2-yl)pyridine?
4-(4-bromo-3-methylbutan-2-yl)pyridine has a molecular weight of 228.13 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylbutan-2-yl)pyridine is sourced from PubChem (CID 83929850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).