5-bromo-3-methylidene-2H-pyridine

C6H6BrN — CID 167214126

IUPAC5-bromo-3-methylidene-2H-pyridine
SMILESC=C1C=C(Br)C=NC1
InChIInChI=1S/C6H6BrN/c1-5-2-6(7)4-8-3-5/h2,4H,1,3H2
InChIKeyJNFSEDKZOXBTRD-UHFFFAOYSA-N
MW172.03 g/mol
LogP1.91
Rot. Bonds

About 5-bromo-3-methylidene-2H-pyridine

5-bromo-3-methylidene-2H-pyridine (PubChem CID 167214126) has the molecular formula C6H6BrN and a molecular weight of 172.03 g/mol. Its IUPAC name is 5-bromo-3-methylidene-2H-pyridine.

Molecular Properties

Compound Name5-bromo-3-methylidene-2H-pyridine
PubChem CID167214126
Molecular FormulaC6H6BrN
Molecular Weight172.03 g/mol
Exact Mass170.97
IUPAC Name5-bromo-3-methylidene-2H-pyridine
SMILESC=C1C=C(Br)C=NC1
InChIInChI=1S/C6H6BrN/c1-5-2-6(7)4-8-3-5/h2,4H,1,3H2
InChIKeyJNFSEDKZOXBTRD-UHFFFAOYSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylidene-2H-pyridine?
The IUPAC name of 5-bromo-3-methylidene-2H-pyridine (CID 167214126) is 5-bromo-3-methylidene-2H-pyridine.
What is the SMILES notation for 5-bromo-3-methylidene-2H-pyridine?
The canonical SMILES for 5-bromo-3-methylidene-2H-pyridine is C=C1C=C(Br)C=NC1.
What is the InChIKey of 5-bromo-3-methylidene-2H-pyridine?
The InChIKey is JNFSEDKZOXBTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN/c1-5-2-6(7)4-8-3-5/h2,4H,1,3H2.
What are the key properties of 5-bromo-3-methylidene-2H-pyridine?
5-bromo-3-methylidene-2H-pyridine has a molecular weight of 172.03 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylidene-2H-pyridine is sourced from PubChem (CID 167214126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).