5-bromo-2-methylsulfanylpyridine-4-carboxylic acid

C7H6BrNO2S — CID 130572390

IUPAC5-bromo-2-methylsulfanylpyridine-4-carboxylic acid
SMILESCSc1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C7H6BrNO2S/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)
InChIKeyZALVHXVXPMCIIY-UHFFFAOYSA-N
MW248.10 g/mol
LogP2.26
Rot. Bonds2

About 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid

5-bromo-2-methylsulfanylpyridine-4-carboxylic acid (PubChem CID 130572390) has the molecular formula C7H6BrNO2S and a molecular weight of 248.10 g/mol. Its IUPAC name is 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-methylsulfanylpyridine-4-carboxylic acid
PubChem CID130572390
Molecular FormulaC7H6BrNO2S
Molecular Weight248.10 g/mol
Exact Mass246.93
IUPAC Name5-bromo-2-methylsulfanylpyridine-4-carboxylic acid
SMILESCSc1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C7H6BrNO2S/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)
InChIKeyZALVHXVXPMCIIY-UHFFFAOYSA-N
XLogP2.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-iodopyridine-4-carboxylic acid
CID 131261755
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-methylsulfanylpyridine-4-carboxamide
CID 59402616
5-bromopyridazine-4-carboxylic acid
CID 118817051
2-methylsulfanylquinoline-4-carboxylic acid
CID 15179620
5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid
CID 130572381
2-bromo-5-(5,6-dimethylpyrazin-2-yl)sulfanylbenzoic acid
CID 114474969
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
4-bromo-2-chloro-5-methylsulfanylbenzoic acid
CID 91881657
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 114869053
5-bromo-2-(prop-2-ynoxyamino)pyridine-4-carboxylic acid
CID 130658409
6-methylsulfanylpyridazine-4-carboxylic acid
CID 117102513

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid (CID 130572390) is 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid is CSc1cc(C(=O)O)c(Br)cn1.
What is the InChIKey of 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid?
The InChIKey is ZALVHXVXPMCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2S/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11).
What are the key properties of 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid?
5-bromo-2-methylsulfanylpyridine-4-carboxylic acid has a molecular weight of 248.10 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 130572390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).