3-bromopyridine

C5H4BrN — CID 12286

IUPAC3-bromopyridine
SMILESBrc1cccnc1
InChIInChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
InChIKeyNYPYPOZNGOXYSU-UHFFFAOYSA-N
MW158.00 g/mol
LogP1.84
Rot. Bonds

About 3-bromopyridine

3-bromopyridine (PubChem CID 12286) has the molecular formula C5H4BrN and a molecular weight of 158.00 g/mol. Its IUPAC name is 3-bromopyridine.

Molecular Properties

Compound Name3-bromopyridine
PubChem CID12286
Molecular FormulaC5H4BrN
Molecular Weight158.00 g/mol
Exact Mass156.95
IUPAC Name3-bromopyridine
SMILESBrc1cccnc1
InChIInChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
InChIKeyNYPYPOZNGOXYSU-UHFFFAOYSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.00
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridine
CID 1049
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Pyridine N-Oxide
CID 12753
2-Bromopyridine
CID 7973
3-Vinylpyridine
CID 14272
Pyridine-D5
CID 558519
2-Amino-5-bromopyridine
CID 70622
Pyridinium chloride
CID 10176127

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine?
The IUPAC name of 3-bromopyridine (CID 12286) is 3-bromopyridine.
What is the SMILES notation for 3-bromopyridine?
The canonical SMILES for 3-bromopyridine is Brc1cccnc1.
What is the InChIKey of 3-bromopyridine?
The InChIKey is NYPYPOZNGOXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H.
What are the key properties of 3-bromopyridine?
3-bromopyridine has a molecular weight of 158.00 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine is sourced from PubChem (CID 12286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).