2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid

C10H12BrNO2S — CID 106875336

IUPAC2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
SMILESCc1ccnc(SC(C)(C)C(=O)O)c1Br
InChIInChI=1S/C10H12BrNO2S/c1-6-4-5-12-8(7(6)11)15-10(2,3)9(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyUOHZIUGQDNAMHB-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.11
Rot. Bonds3

About 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid

2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid (PubChem CID 106875336) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
PubChem CID106875336
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
SMILESCc1ccnc(SC(C)(C)C(=O)O)c1Br
InChIInChI=1S/C10H12BrNO2S/c1-6-4-5-12-8(7(6)11)15-10(2,3)9(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyUOHZIUGQDNAMHB-UHFFFAOYSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromoisoquinolin-1-yl)sulfanyl-2-methylpropanoic acid
CID 106536860
6-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 106875322
2-methyl-2-[3-(4-methylnaphthalen-1-yl)pyrazin-2-yl]sulfanylpropanoic acid
CID 70650352
2-[(3-methoxycarbonyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 81230057
N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 106878206
3-bromo-4-methyl-2-propylsulfanylpyridine
CID 106878163
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenol
CID 106876320
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
CID 106878316
3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
CID 106878334
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
2-[[3-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 70650887
2-[(4-cyano-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 81228307

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid (CID 106875336) is 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid is Cc1ccnc(SC(C)(C)C(=O)O)c1Br.
What is the InChIKey of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid?
The InChIKey is UOHZIUGQDNAMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-6-4-5-12-8(7(6)11)15-10(2,3)9(13)14/h4-5H,1-3H3,(H,13,14).
What are the key properties of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid?
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid has a molecular weight of 290.18 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid is sourced from PubChem (CID 106875336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).