3-methyl-4H-thiopyrano[3,2-b]pyridine

C9H9NS — CID 143590965

IUPAC3-methyl-4H-thiopyrano[3,2-b]pyridine
SMILESCC1=CSc2cccnc2C1
InChIInChI=1S/C9H9NS/c1-7-5-8-9(11-6-7)3-2-4-10-8/h2-4,6H,5H2,1H3
InChIKeyMVEMVSMVSIODQF-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.63
Rot. Bonds

About 3-methyl-4H-thiopyrano[3,2-b]pyridine

3-methyl-4H-thiopyrano[3,2-b]pyridine (PubChem CID 143590965) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 3-methyl-4H-thiopyrano[3,2-b]pyridine.

Molecular Properties

Compound Name3-methyl-4H-thiopyrano[3,2-b]pyridine
PubChem CID143590965
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name3-methyl-4H-thiopyrano[3,2-b]pyridine
SMILESCC1=CSc2cccnc2C1
InChIInChI=1S/C9H9NS/c1-7-5-8-9(11-6-7)3-2-4-10-8/h2-4,6H,5H2,1H3
InChIKeyMVEMVSMVSIODQF-UHFFFAOYSA-N
XLogP2.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 159164422
3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159070355
8-methyl-6-(2-methylpropyl)quinoline
CID 146222256
5,6,7,8-tetramethyl-9H-indeno[2,1-b]pyridine
CID 157054008
bis(2,3-dimethylpyridine);ethane
CID 159594018
5-(2,5-dimethylphenyl)-6-methyl-3,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 158322913
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
4-chloro-6-methyl-7H-cyclopenta[b]pyridine
CID 58146844
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
5-methyl-10H-pyrazino[2,3-b][1,8]naphthyridine
CID 162174860
5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one
CID 134558287
methoxymethane;3-methylpyridin-2-amine
CID 142348172

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-thiopyrano[3,2-b]pyridine?
The IUPAC name of 3-methyl-4H-thiopyrano[3,2-b]pyridine (CID 143590965) is 3-methyl-4H-thiopyrano[3,2-b]pyridine.
What is the SMILES notation for 3-methyl-4H-thiopyrano[3,2-b]pyridine?
The canonical SMILES for 3-methyl-4H-thiopyrano[3,2-b]pyridine is CC1=CSc2cccnc2C1.
What is the InChIKey of 3-methyl-4H-thiopyrano[3,2-b]pyridine?
The InChIKey is MVEMVSMVSIODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-7-5-8-9(11-6-7)3-2-4-10-8/h2-4,6H,5H2,1H3.
What are the key properties of 3-methyl-4H-thiopyrano[3,2-b]pyridine?
3-methyl-4H-thiopyrano[3,2-b]pyridine has a molecular weight of 163.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-thiopyrano[3,2-b]pyridine is sourced from PubChem (CID 143590965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).