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

C10H14BrN — CID 83929749

IUPAC3-(4-bromo-3-methylbutan-2-yl)pyridine
SMILESCC(CBr)C(C)c1cccnc1
InChIInChI=1S/C10H14BrN/c1-8(6-11)9(2)10-4-3-5-12-7-10/h3-5,7-9H,6H2,1-2H3
InChIKeyXFFMLNFNGQWSJD-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.22
Rot. Bonds3

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

3-(4-bromo-3-methylbutan-2-yl)pyridine (PubChem CID 83929749) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 3-(4-bromo-3-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name3-(4-bromo-3-methylbutan-2-yl)pyridine
PubChem CID83929749
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name3-(4-bromo-3-methylbutan-2-yl)pyridine
SMILESCC(CBr)C(C)c1cccnc1
InChIInChI=1S/C10H14BrN/c1-8(6-11)9(2)10-4-3-5-12-7-10/h3-5,7-9H,6H2,1-2H3
InChIKeyXFFMLNFNGQWSJD-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

(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylbutan-2-yl)pyridine?
The IUPAC name of 3-(4-bromo-3-methylbutan-2-yl)pyridine (CID 83929749) is 3-(4-bromo-3-methylbutan-2-yl)pyridine.
What is the SMILES notation for 3-(4-bromo-3-methylbutan-2-yl)pyridine?
The canonical SMILES for 3-(4-bromo-3-methylbutan-2-yl)pyridine is CC(CBr)C(C)c1cccnc1.
What is the InChIKey of 3-(4-bromo-3-methylbutan-2-yl)pyridine?
The InChIKey is XFFMLNFNGQWSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(6-11)9(2)10-4-3-5-12-7-10/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 3-(4-bromo-3-methylbutan-2-yl)pyridine?
3-(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 3-(4-bromo-3-methylbutan-2-yl)pyridine is sourced from PubChem (CID 83929749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).