4-bromopyridine;dihydrochloride

C5H6BrCl2N — CID 141095562

IUPAC4-bromopyridine;dihydrochloride
SMILESBrc1ccncc1.Cl.Cl
InChIInChI=1S/C5H4BrN.2ClH/c6-5-1-3-7-4-2-5;;/h1-4H;2*1H
InChIKeyBBCAMSUJLWYVQT-UHFFFAOYSA-N
MW230.92 g/mol
LogP2.69
Rot. Bonds

About 4-bromopyridine;dihydrochloride

4-bromopyridine;dihydrochloride (PubChem CID 141095562) has the molecular formula C5H6BrCl2N and a molecular weight of 230.92 g/mol. Its IUPAC name is 4-bromopyridine;dihydrochloride.

Molecular Properties

Compound Name4-bromopyridine;dihydrochloride
PubChem CID141095562
Molecular FormulaC5H6BrCl2N
Molecular Weight230.92 g/mol
Exact Mass228.91
IUPAC Name4-bromopyridine;dihydrochloride
SMILESBrc1ccncc1.Cl.Cl
InChIInChI=1S/C5H4BrN.2ClH/c6-5-1-3-7-4-2-5;;/h1-4H;2*1H
InChIKeyBBCAMSUJLWYVQT-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.92
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine;dihydrochloride?
The IUPAC name of 4-bromopyridine;dihydrochloride (CID 141095562) is 4-bromopyridine;dihydrochloride.
What is the SMILES notation for 4-bromopyridine;dihydrochloride?
The canonical SMILES for 4-bromopyridine;dihydrochloride is Brc1ccncc1.Cl.Cl.
What is the InChIKey of 4-bromopyridine;dihydrochloride?
The InChIKey is BBCAMSUJLWYVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN.2ClH/c6-5-1-3-7-4-2-5;;/h1-4H;2*1H.
What are the key properties of 4-bromopyridine;dihydrochloride?
4-bromopyridine;dihydrochloride has a molecular weight of 230.92 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine;dihydrochloride is sourced from PubChem (CID 141095562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).