4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide

C6H11Br2N — CID 86280179

IUPAC4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide
SMILESBr.CN1CC=C(Br)CC1
InChIInChI=1S/C6H10BrN.BrH/c1-8-4-2-6(7)3-5-8;/h2H,3-5H2,1H3;1H
InChIKeySWUKRCXLXXYOET-UHFFFAOYSA-N
MW256.97 g/mol
LogP2.18
Rot. Bonds

About 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide

4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide (PubChem CID 86280179) has the molecular formula C6H11Br2N and a molecular weight of 256.97 g/mol. Its IUPAC name is 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide
PubChem CID86280179
Molecular FormulaC6H11Br2N
Molecular Weight256.97 g/mol
Exact Mass254.93
IUPAC Name4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide
SMILESBr.CN1CC=C(Br)CC1
InChIInChI=1S/C6H10BrN.BrH/c1-8-4-2-6(7)3-5-8;/h2H,3-5H2,1H3;1H
InChIKeySWUKRCXLXXYOET-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.97
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide?
The IUPAC name of 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide (CID 86280179) is 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide.
What is the SMILES notation for 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide?
The canonical SMILES for 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide is Br.CN1CC=C(Br)CC1.
What is the InChIKey of 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide?
The InChIKey is SWUKRCXLXXYOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN.BrH/c1-8-4-2-6(7)3-5-8;/h2H,3-5H2,1H3;1H.
What are the key properties of 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide?
4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide has a molecular weight of 256.97 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide is sourced from PubChem (CID 86280179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).