3-bromo-5-ethynylpyridine;hydrochloride

C7H5BrClN — CID 154574940

IUPAC3-bromo-5-ethynylpyridine;hydrochloride
SMILESC#Cc1cncc(Br)c1.Cl
InChIInChI=1S/C7H4BrN.ClH/c1-2-6-3-7(8)5-9-4-6;/h1,3-5H;1H
InChIKeyFKDNDRPCIGRMMQ-UHFFFAOYSA-N
MW218.48 g/mol
LogP2.25
Rot. Bonds

About 3-bromo-5-ethynylpyridine;hydrochloride

3-bromo-5-ethynylpyridine;hydrochloride (PubChem CID 154574940) has the molecular formula C7H5BrClN and a molecular weight of 218.48 g/mol. Its IUPAC name is 3-bromo-5-ethynylpyridine;hydrochloride.

Molecular Properties

Compound Name3-bromo-5-ethynylpyridine;hydrochloride
PubChem CID154574940
Molecular FormulaC7H5BrClN
Molecular Weight218.48 g/mol
Exact Mass216.93
IUPAC Name3-bromo-5-ethynylpyridine;hydrochloride
SMILESC#Cc1cncc(Br)c1.Cl
InChIInChI=1S/C7H4BrN.ClH/c1-2-6-3-7(8)5-9-4-6;/h1,3-5H;1H
InChIKeyFKDNDRPCIGRMMQ-UHFFFAOYSA-N
XLogP2.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.48
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3,5-bis[2-(5-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]-5-ethynylpyridine
CID 143762177
5-ethynylpyridine-3-thiol
CID 74892547
CID 59369505
CID 59369505
3-bromo-5-(4-chlorobut-1-ynyl)pyridine
CID 170468722
5-ethynylpyrimidine
CID 1475194
(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74891559
5-bromopyridin-3-ol
CID 599529
3,5-dibromo-4-ethynylpyridine
CID 130936356
5-ethynyl-N,N-dimethylpyridine-3-carboxamide
CID 130118726
2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile
CID 161381350
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408
sodium;5-bromopyridin-3-amine;hydroxide
CID 142881303

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethynylpyridine;hydrochloride?
The IUPAC name of 3-bromo-5-ethynylpyridine;hydrochloride (CID 154574940) is 3-bromo-5-ethynylpyridine;hydrochloride.
What is the SMILES notation for 3-bromo-5-ethynylpyridine;hydrochloride?
The canonical SMILES for 3-bromo-5-ethynylpyridine;hydrochloride is C#Cc1cncc(Br)c1.Cl.
What is the InChIKey of 3-bromo-5-ethynylpyridine;hydrochloride?
The InChIKey is FKDNDRPCIGRMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN.ClH/c1-2-6-3-7(8)5-9-4-6;/h1,3-5H;1H.
What are the key properties of 3-bromo-5-ethynylpyridine;hydrochloride?
3-bromo-5-ethynylpyridine;hydrochloride has a molecular weight of 218.48 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethynylpyridine;hydrochloride is sourced from PubChem (CID 154574940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).