2-bromo-3-methyl-4-pyridin-4-ylpyridine

C11H9BrN2 — CID 175591584

IUPAC2-bromo-3-methyl-4-pyridin-4-ylpyridine
SMILESCc1c(-c2ccncc2)ccnc1Br
InChIInChI=1S/C11H9BrN2/c1-8-10(4-7-14-11(8)12)9-2-5-13-6-3-9/h2-7H,1H3
InChIKeyCHFAIMZPCICPPA-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.21
Rot. Bonds1

About 2-bromo-3-methyl-4-pyridin-4-ylpyridine

2-bromo-3-methyl-4-pyridin-4-ylpyridine (PubChem CID 175591584) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-bromo-3-methyl-4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-4-pyridin-4-ylpyridine
PubChem CID175591584
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name2-bromo-3-methyl-4-pyridin-4-ylpyridine
SMILESCc1c(-c2ccncc2)ccnc1Br
InChIInChI=1S/C11H9BrN2/c1-8-10(4-7-14-11(8)12)9-2-5-13-6-3-9/h2-7H,1H3
InChIKeyCHFAIMZPCICPPA-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Paraquat dichloride
CID 15938
Brompheniramine
CID 6834
Zimelidine
CID 5365247
Paraquat
CID 15939
Dexbrompheniramine
CID 16960
4-Phenylpyridine
CID 13651
3-Ethylpyridine
CID 10823
4,4'-Bipyridine
CID 11107
3-Ethyl-4-methylpyridine
CID 68254
2-Bromopyridine
CID 7973
3,4-Dimethylpyridine
CID 11417
3-Propylpyridine
CID 78405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-4-pyridin-4-ylpyridine?
The IUPAC name of 2-bromo-3-methyl-4-pyridin-4-ylpyridine (CID 175591584) is 2-bromo-3-methyl-4-pyridin-4-ylpyridine.
What is the SMILES notation for 2-bromo-3-methyl-4-pyridin-4-ylpyridine?
The canonical SMILES for 2-bromo-3-methyl-4-pyridin-4-ylpyridine is Cc1c(-c2ccncc2)ccnc1Br.
What is the InChIKey of 2-bromo-3-methyl-4-pyridin-4-ylpyridine?
The InChIKey is CHFAIMZPCICPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-8-10(4-7-14-11(8)12)9-2-5-13-6-3-9/h2-7H,1H3.
What are the key properties of 2-bromo-3-methyl-4-pyridin-4-ylpyridine?
2-bromo-3-methyl-4-pyridin-4-ylpyridine has a molecular weight of 249.11 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-4-pyridin-4-ylpyridine is sourced from PubChem (CID 175591584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).