3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine

C7H10BrN — CID 147152623

IUPAC3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC=C(C)CC1Br
InChIInChI=1S/C7H10BrN/c1-5-3-7(8)6(2)9-4-5/h4,7,9H,2-3H2,1H3
InChIKeyOGHXNYXJWPWIME-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.16
Rot. Bonds

About 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine

3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine (PubChem CID 147152623) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine
PubChem CID147152623
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC=C(C)CC1Br
InChIInChI=1S/C7H10BrN/c1-5-3-7(8)6(2)9-4-5/h4,7,9H,2-3H2,1H3
InChIKeyOGHXNYXJWPWIME-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The IUPAC name of 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine (CID 147152623) is 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine is C=C1NC=C(C)CC1Br.
What is the InChIKey of 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The InChIKey is OGHXNYXJWPWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-5-3-7(8)6(2)9-4-5/h4,7,9H,2-3H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
3-bromo-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine has a molecular weight of 188.07 g/mol, XLogP of 2.16, 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-2-methylidene-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 147152623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).