6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid

C14H14N2O2S — CID 102924513

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(C)nc(Sc2ccc(C(=O)O)c(C)n2)c1
InChIInChI=1S/C14H14N2O2S/c1-8-6-9(2)15-13(7-8)19-12-5-4-11(14(17)18)10(3)16-12/h4-7H,1-3H3,(H,17,18)
InChIKeyBRYJQVAFXWRXLH-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.25
Rot. Bonds3

About 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 102924513) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid
PubChem CID102924513
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(C)nc(Sc2ccc(C(=O)O)c(C)n2)c1
InChIInChI=1S/C14H14N2O2S/c1-8-6-9(2)15-13(7-8)19-12-5-4-11(14(17)18)10(3)16-12/h4-7H,1-3H3,(H,17,18)
InChIKeyBRYJQVAFXWRXLH-UHFFFAOYSA-N
XLogP3.25
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorobenzoic acid
CID 107540891
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102924507
3-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102925985
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 102925983
5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-2-methoxybenzoic acid
CID 102926001
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
ethyl 2-amino-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoate
CID 102925455
1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-nitrophenyl]ethanone
CID 102925074
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylpyridin-2-amine
CID 102926926
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
CID 102926074
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pentanoic acid
CID 102924386

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid (CID 102924513) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid is Cc1cc(C)nc(Sc2ccc(C(=O)O)c(C)n2)c1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is BRYJQVAFXWRXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-6-9(2)15-13(7-8)19-12-5-4-11(14(17)18)10(3)16-12/h4-7H,1-3H3,(H,17,18).
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 274.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 102924513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).