4-bromo-3,5-dimethyl-2-propan-2-ylpyridine

C10H14BrN — CID 170078823

IUPAC4-bromo-3,5-dimethyl-2-propan-2-ylpyridine
SMILESCc1cnc(C(C)C)c(C)c1Br
InChIInChI=1S/C10H14BrN/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6H,1-4H3
InChIKeyBNXGGJBHVWMNAO-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.58
Rot. Bonds1

About 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine

4-bromo-3,5-dimethyl-2-propan-2-ylpyridine (PubChem CID 170078823) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-2-propan-2-ylpyridine
PubChem CID170078823
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-3,5-dimethyl-2-propan-2-ylpyridine
SMILESCc1cnc(C(C)C)c(C)c1Br
InChIInChI=1S/C10H14BrN/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6H,1-4H3
InChIKeyBNXGGJBHVWMNAO-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
The IUPAC name of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine (CID 170078823) is 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine.
What is the SMILES notation for 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
The canonical SMILES for 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine is Cc1cnc(C(C)C)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
The InChIKey is BNXGGJBHVWMNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6H,1-4H3.
What are the key properties of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
4-bromo-3,5-dimethyl-2-propan-2-ylpyridine has a molecular weight of 228.13 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine is sourced from PubChem (CID 170078823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).