3-bromo-4-methyl-2-propylsulfanylpyridine

C9H12BrNS — CID 106878163

IUPAC3-bromo-4-methyl-2-propylsulfanylpyridine
SMILESCCCSc1nccc(C)c1Br
InChIInChI=1S/C9H12BrNS/c1-3-6-12-9-8(10)7(2)4-5-11-9/h4-5H,3,6H2,1-2H3
InChIKeyMSVNHHOSGQTEGC-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.65
Rot. Bonds3

About 3-bromo-4-methyl-2-propylsulfanylpyridine

3-bromo-4-methyl-2-propylsulfanylpyridine (PubChem CID 106878163) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-propylsulfanylpyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-propylsulfanylpyridine
PubChem CID106878163
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name3-bromo-4-methyl-2-propylsulfanylpyridine
SMILESCCCSc1nccc(C)c1Br
InChIInChI=1S/C9H12BrNS/c1-3-6-12-9-8(10)7(2)4-5-11-9/h4-5H,3,6H2,1-2H3
InChIKeyMSVNHHOSGQTEGC-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
CID 107754063
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
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenol
CID 106876320
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
CID 106878316
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 106875336
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
CID 105382776
3-propylsulfanylpyrazine-2-carbonitrile
CID 62683375
3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine
CID 101475776
N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 106878206

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-propylsulfanylpyridine?
The IUPAC name of 3-bromo-4-methyl-2-propylsulfanylpyridine (CID 106878163) is 3-bromo-4-methyl-2-propylsulfanylpyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-propylsulfanylpyridine?
The canonical SMILES for 3-bromo-4-methyl-2-propylsulfanylpyridine is CCCSc1nccc(C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-propylsulfanylpyridine?
The InChIKey is MSVNHHOSGQTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-3-6-12-9-8(10)7(2)4-5-11-9/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-bromo-4-methyl-2-propylsulfanylpyridine?
3-bromo-4-methyl-2-propylsulfanylpyridine has a molecular weight of 246.17 g/mol, XLogP of 3.65, 3 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-propylsulfanylpyridine is sourced from PubChem (CID 106878163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).