3,5-dibromo-2-cyclopropylidene-1-methylpyridine

C9H9Br2N — CID 66612817

IUPAC3,5-dibromo-2-cyclopropylidene-1-methylpyridine
SMILESCN1C=C(Br)C=C(Br)C1=C1CC1
InChIInChI=1S/C9H9Br2N/c1-12-5-7(10)4-8(11)9(12)6-2-3-6/h4-5H,2-3H2,1H3
InChIKeyQKGPBQSOQJTZDW-UHFFFAOYSA-N
MW290.99 g/mol
LogP3.49
Rot. Bonds

About 3,5-dibromo-2-cyclopropylidene-1-methylpyridine

3,5-dibromo-2-cyclopropylidene-1-methylpyridine (PubChem CID 66612817) has the molecular formula C9H9Br2N and a molecular weight of 290.99 g/mol. Its IUPAC name is 3,5-dibromo-2-cyclopropylidene-1-methylpyridine.

Molecular Properties

Compound Name3,5-dibromo-2-cyclopropylidene-1-methylpyridine
PubChem CID66612817
Molecular FormulaC9H9Br2N
Molecular Weight290.99 g/mol
Exact Mass288.91
IUPAC Name3,5-dibromo-2-cyclopropylidene-1-methylpyridine
SMILESCN1C=C(Br)C=C(Br)C1=C1CC1
InChIInChI=1S/C9H9Br2N/c1-12-5-7(10)4-8(11)9(12)6-2-3-6/h4-5H,2-3H2,1H3
InChIKeyQKGPBQSOQJTZDW-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.99
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-cyclopropylidene-1-methylpyridine?
The IUPAC name of 3,5-dibromo-2-cyclopropylidene-1-methylpyridine (CID 66612817) is 3,5-dibromo-2-cyclopropylidene-1-methylpyridine.
What is the SMILES notation for 3,5-dibromo-2-cyclopropylidene-1-methylpyridine?
The canonical SMILES for 3,5-dibromo-2-cyclopropylidene-1-methylpyridine is CN1C=C(Br)C=C(Br)C1=C1CC1.
What is the InChIKey of 3,5-dibromo-2-cyclopropylidene-1-methylpyridine?
The InChIKey is QKGPBQSOQJTZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N/c1-12-5-7(10)4-8(11)9(12)6-2-3-6/h4-5H,2-3H2,1H3.
What are the key properties of 3,5-dibromo-2-cyclopropylidene-1-methylpyridine?
3,5-dibromo-2-cyclopropylidene-1-methylpyridine has a molecular weight of 290.99 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-cyclopropylidene-1-methylpyridine is sourced from PubChem (CID 66612817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).