3-bromo-5-methyl-1,2-dihydropyridine

C6H8BrN — CID 155084341

IUPAC3-bromo-5-methyl-1,2-dihydropyridine
SMILESCC1=CNCC(Br)=C1
InChIInChI=1S/C6H8BrN/c1-5-2-6(7)4-8-3-5/h2-3,8H,4H2,1H3
InChIKeyFKIILGALEIXCPZ-UHFFFAOYSA-N
MW174.04 g/mol
LogP1.77
Rot. Bonds

About 3-bromo-5-methyl-1,2-dihydropyridine

3-bromo-5-methyl-1,2-dihydropyridine (PubChem CID 155084341) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 3-bromo-5-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-1,2-dihydropyridine
PubChem CID155084341
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name3-bromo-5-methyl-1,2-dihydropyridine
SMILESCC1=CNCC(Br)=C1
InChIInChI=1S/C6H8BrN/c1-5-2-6(7)4-8-3-5/h2-3,8H,4H2,1H3
InChIKeyFKIILGALEIXCPZ-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Fluoro-5-methyl-1,2-dihydropyridine
CID 142345336
5-Methyl-1,2-dihydropyridine
CID 424458
5-Bromo-4-methyl-1,2-dihydropyridine
CID 46856287
5-Methyl-1,2-dihydropyridin-1-ium
CID 54569648
4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57271312
(E)-4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 67634446
4,5-Dimethyl-1,2-dihydropyridine
CID 68384466
(2S)-2-bromo-2-methyl-1H-pyridine
CID 68993181
(1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine
CID 89105679

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1,2-dihydropyridine?
The IUPAC name of 3-bromo-5-methyl-1,2-dihydropyridine (CID 155084341) is 3-bromo-5-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-bromo-5-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-bromo-5-methyl-1,2-dihydropyridine is CC1=CNCC(Br)=C1.
What is the InChIKey of 3-bromo-5-methyl-1,2-dihydropyridine?
The InChIKey is FKIILGALEIXCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c1-5-2-6(7)4-8-3-5/h2-3,8H,4H2,1H3.
What are the key properties of 3-bromo-5-methyl-1,2-dihydropyridine?
3-bromo-5-methyl-1,2-dihydropyridine has a molecular weight of 174.04 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-1,2-dihydropyridine is sourced from PubChem (CID 155084341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).