3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine

C11H16BrNS — CID 107754063

IUPAC3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
SMILESCc1ccnc(SCCC(C)C)c1Br
InChIInChI=1S/C11H16BrNS/c1-8(2)5-7-14-11-10(12)9(3)4-6-13-11/h4,6,8H,5,7H2,1-3H3
InChIKeyDKBDWAJJFPZNEH-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.29
Rot. Bonds4

About 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine

3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine (PubChem CID 107754063) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
PubChem CID107754063
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
SMILESCc1ccnc(SCCC(C)C)c1Br
InChIInChI=1S/C11H16BrNS/c1-8(2)5-7-14-11-10(12)9(3)4-6-13-11/h4,6,8H,5,7H2,1-3H3
InChIKeyDKBDWAJJFPZNEH-UHFFFAOYSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-2-propylsulfanylpyridine
CID 106878163
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine
CID 107752122
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenol
CID 106876320
3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
CID 106878334
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 106878344
6-methyl-2-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748105
3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 106875484
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
CID 107748104
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
CID 106878316
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine?
The IUPAC name of 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine (CID 107754063) is 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine is Cc1ccnc(SCCC(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine?
The InChIKey is DKBDWAJJFPZNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8(2)5-7-14-11-10(12)9(3)4-6-13-11/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine?
3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine has a molecular weight of 274.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine is sourced from PubChem (CID 107754063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).