1,3-bis(bromomethyl)-2H-pyridine

C7H9Br2N — CID 68785196

IUPAC1,3-bis(bromomethyl)-2H-pyridine
SMILESBrCC1=CC=CN(CBr)C1
InChIInChI=1S/C7H9Br2N/c8-4-7-2-1-3-10(5-7)6-9/h1-3H,4-6H2
InChIKeyOMNKJWOKBAGMOJ-UHFFFAOYSA-N
MW266.96 g/mol
LogP2.49
Rot. Bonds2

About 1,3-bis(bromomethyl)-2H-pyridine

1,3-bis(bromomethyl)-2H-pyridine (PubChem CID 68785196) has the molecular formula C7H9Br2N and a molecular weight of 266.96 g/mol. Its IUPAC name is 1,3-bis(bromomethyl)-2H-pyridine.

Molecular Properties

Compound Name1,3-bis(bromomethyl)-2H-pyridine
PubChem CID68785196
Molecular FormulaC7H9Br2N
Molecular Weight266.96 g/mol
Exact Mass264.91
IUPAC Name1,3-bis(bromomethyl)-2H-pyridine
SMILESBrCC1=CC=CN(CBr)C1
InChIInChI=1S/C7H9Br2N/c8-4-7-2-1-3-10(5-7)6-9/h1-3H,4-6H2
InChIKeyOMNKJWOKBAGMOJ-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.96
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67839666
CID 67839666
CID 69571608
CID 69571608
CID 129240227
CID 129240227
CID 140240408
CID 140240408
CID 151515419
CID 151515419
CID 152020587
CID 152020587
CID 153780372
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CID 155319566
CID 155319566

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(bromomethyl)-2H-pyridine?
The IUPAC name of 1,3-bis(bromomethyl)-2H-pyridine (CID 68785196) is 1,3-bis(bromomethyl)-2H-pyridine.
What is the SMILES notation for 1,3-bis(bromomethyl)-2H-pyridine?
The canonical SMILES for 1,3-bis(bromomethyl)-2H-pyridine is BrCC1=CC=CN(CBr)C1.
What is the InChIKey of 1,3-bis(bromomethyl)-2H-pyridine?
The InChIKey is OMNKJWOKBAGMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2N/c8-4-7-2-1-3-10(5-7)6-9/h1-3H,4-6H2.
What are the key properties of 1,3-bis(bromomethyl)-2H-pyridine?
1,3-bis(bromomethyl)-2H-pyridine has a molecular weight of 266.96 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(bromomethyl)-2H-pyridine is sourced from PubChem (CID 68785196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).