4-bromo-1,5,6-trimethyl-2H-pyridine

C8H12BrN — CID 141279725

IUPAC4-bromo-1,5,6-trimethyl-2H-pyridine
SMILESCC1=C(C)N(C)CC=C1Br
InChIInChI=1S/C8H12BrN/c1-6-7(2)10(3)5-4-8(6)9/h4H,5H2,1-3H3
InChIKeyIRSHQOFCNVPCRP-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.50
Rot. Bonds

About 4-bromo-1,5,6-trimethyl-2H-pyridine

4-bromo-1,5,6-trimethyl-2H-pyridine (PubChem CID 141279725) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 4-bromo-1,5,6-trimethyl-2H-pyridine.

Molecular Properties

Compound Name4-bromo-1,5,6-trimethyl-2H-pyridine
PubChem CID141279725
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name4-bromo-1,5,6-trimethyl-2H-pyridine
SMILESCC1=C(C)N(C)CC=C1Br
InChIInChI=1S/C8H12BrN/c1-6-7(2)10(3)5-4-8(6)9/h4H,5H2,1-3H3
InChIKeyIRSHQOFCNVPCRP-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
CID 155130356
5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 161297791
1,4,5,6-tetramethyl-2H-pyridine
CID 20479161
3,5-Dibromo-2-cyclopropylidene-1-methylpyridine
CID 66612817
4-Bromo-1,1-dimethyl-2,3,6,7-tetrahydroindol-1-ium
CID 70412754
5-(Bromomethyl)-1-methyl-2-methylidenepyridine
CID 123372442
6-bromo-1-ethyl-5-methyl-2H-pyridine
CID 124102703
6-bromo-5-methyl-1-prop-2-enyl-2H-pyridine
CID 124102734
(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine
CID 143938742
3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine
CID 146392417
5-bromo-1,3-dimethyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 148863106
5-bromo-1-butyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 149570537

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5,6-trimethyl-2H-pyridine?
The IUPAC name of 4-bromo-1,5,6-trimethyl-2H-pyridine (CID 141279725) is 4-bromo-1,5,6-trimethyl-2H-pyridine.
What is the SMILES notation for 4-bromo-1,5,6-trimethyl-2H-pyridine?
The canonical SMILES for 4-bromo-1,5,6-trimethyl-2H-pyridine is CC1=C(C)N(C)CC=C1Br.
What is the InChIKey of 4-bromo-1,5,6-trimethyl-2H-pyridine?
The InChIKey is IRSHQOFCNVPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-6-7(2)10(3)5-4-8(6)9/h4H,5H2,1-3H3.
What are the key properties of 4-bromo-1,5,6-trimethyl-2H-pyridine?
4-bromo-1,5,6-trimethyl-2H-pyridine has a molecular weight of 202.09 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5,6-trimethyl-2H-pyridine is sourced from PubChem (CID 141279725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).