6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride

C7H9BrClNS — CID 175568543

IUPAC6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride
SMILESCSc1ccc(Br)nc1C.Cl
InChIInChI=1S/C7H8BrNS.ClH/c1-5-6(10-2)3-4-7(8)9-5;/h3-4H,1-2H3;1H
InChIKeyNBFXFDNUSBVSDW-UHFFFAOYSA-N
MW254.58 g/mol
LogP3.30
Rot. Bonds1

About 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride

6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride (PubChem CID 175568543) has the molecular formula C7H9BrClNS and a molecular weight of 254.58 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride.

Molecular Properties

Compound Name6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride
PubChem CID175568543
Molecular FormulaC7H9BrClNS
Molecular Weight254.58 g/mol
Exact Mass252.93
IUPAC Name6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride
SMILESCSc1ccc(Br)nc1C.Cl
InChIInChI=1S/C7H8BrNS.ClH/c1-5-6(10-2)3-4-7(8)9-5;/h3-4H,1-2H3;1H
InChIKeyNBFXFDNUSBVSDW-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.58
LogP ≤ 53.30
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

6-bromo-2-methyl-3-methylsulfanylpyridine
CID 175568544
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
6-bromo-2-methyl-3-propan-2-ylpyridine
CID 143746105
2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 155585893
3-bromo-2-methyl-4-methylsulfanylpyridine
CID 170993138
2-chloro-6-methyl-3-methylsulfanylpyridine
CID 175318056
2-bromo-6-methylsulfanylpyridine
CID 12560807
2,4-dimethyl-5-methylsulfanylpyrimidine
CID 15587943
1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane
CID 168939076
1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane
CID 177153642
6-bromo-2-methylpyridine-3-sulfonic acid
CID 159818878
3-bromo-2-methyl-5-propan-2-ylpyrazine
CID 118329292

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride?
The IUPAC name of 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride (CID 175568543) is 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride.
What is the SMILES notation for 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride?
The canonical SMILES for 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride is CSc1ccc(Br)nc1C.Cl.
What is the InChIKey of 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride?
The InChIKey is NBFXFDNUSBVSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS.ClH/c1-5-6(10-2)3-4-7(8)9-5;/h3-4H,1-2H3;1H.
What are the key properties of 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride?
6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride has a molecular weight of 254.58 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride is sourced from PubChem (CID 175568543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).