2-(2-bromoprop-2-enyl)-5-methylpyridine

C9H10BrN — CID 24722180

IUPAC2-(2-bromoprop-2-enyl)-5-methylpyridine
SMILESC=C(Br)Cc1ccc(C)cn1
InChIInChI=1S/C9H10BrN/c1-7-3-4-9(11-6-7)5-8(2)10/h3-4,6H,2,5H2,1H3
InChIKeyFWQWGNFGTLMHQE-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-bromoprop-2-enyl)-5-methylpyridine

2-(2-bromoprop-2-enyl)-5-methylpyridine (PubChem CID 24722180) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enyl)-5-methylpyridine
PubChem CID24722180
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name2-(2-bromoprop-2-enyl)-5-methylpyridine
SMILESC=C(Br)Cc1ccc(C)cn1
InChIInChI=1S/C9H10BrN/c1-7-3-4-9(11-6-7)5-8(2)10/h3-4,6H,2,5H2,1H3
InChIKeyFWQWGNFGTLMHQE-UHFFFAOYSA-N
XLogP2.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enyl)-5-methylpyridine?
The IUPAC name of 2-(2-bromoprop-2-enyl)-5-methylpyridine (CID 24722180) is 2-(2-bromoprop-2-enyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-bromoprop-2-enyl)-5-methylpyridine?
The canonical SMILES for 2-(2-bromoprop-2-enyl)-5-methylpyridine is C=C(Br)Cc1ccc(C)cn1.
What is the InChIKey of 2-(2-bromoprop-2-enyl)-5-methylpyridine?
The InChIKey is FWQWGNFGTLMHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-7-3-4-9(11-6-7)5-8(2)10/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-(2-bromoprop-2-enyl)-5-methylpyridine?
2-(2-bromoprop-2-enyl)-5-methylpyridine has a molecular weight of 212.09 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enyl)-5-methylpyridine is sourced from PubChem (CID 24722180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).