3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid

C10H12N2O2S — CID 82391810

IUPAC3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nc2c(c(C(=O)O)c1N)CCSC2
InChIInChI=1S/C10H12N2O2S/c1-5-9(11)8(10(13)14)6-2-3-15-4-7(6)12-5/h2-4,11H2,1H3,(H,13,14)
InChIKeyDHRSKYHRYXTRJF-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.46
Rot. Bonds1

About 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid

3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid (PubChem CID 82391810) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid
PubChem CID82391810
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nc2c(c(C(=O)O)c1N)CCSC2
InChIInChI=1S/C10H12N2O2S/c1-5-9(11)8(10(13)14)6-2-3-15-4-7(6)12-5/h2-4,11H2,1H3,(H,13,14)
InChIKeyDHRSKYHRYXTRJF-UHFFFAOYSA-N
XLogP1.46
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid (CID 82391810) is 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid is Cc1nc2c(c(C(=O)O)c1N)CCSC2.
What is the InChIKey of 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is DHRSKYHRYXTRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-5-9(11)8(10(13)14)6-2-3-15-4-7(6)12-5/h2-4,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid?
3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 82391810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).