4-chloro-2-methylthieno[3,4-b]pyridine

C8H6ClNS — CID 141073454

IUPAC4-chloro-2-methylthieno[3,4-b]pyridine
SMILESCc1cc(Cl)c2cscc2n1
InChIInChI=1S/C8H6ClNS/c1-5-2-7(9)6-3-11-4-8(6)10-5/h2-4H,1H3
InChIKeyNQNGMIRBSONEOO-UHFFFAOYSA-N
MW183.66 g/mol
LogP3.26
Rot. Bonds

About 4-chloro-2-methylthieno[3,4-b]pyridine

4-chloro-2-methylthieno[3,4-b]pyridine (PubChem CID 141073454) has the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. Its IUPAC name is 4-chloro-2-methylthieno[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-methylthieno[3,4-b]pyridine
PubChem CID141073454
Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
Exact Mass182.99
IUPAC Name4-chloro-2-methylthieno[3,4-b]pyridine
SMILESCc1cc(Cl)c2cscc2n1
InChIInChI=1S/C8H6ClNS/c1-5-2-7(9)6-3-11-4-8(6)10-5/h2-4H,1H3
InChIKeyNQNGMIRBSONEOO-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,7-trichloro-2-methylquinoline
CID 17039821
7-bromo-4-chloro-2-methylquinoline
CID 17040020
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
(4-chloro-2,6-dimethylquinolin-7-yl)methanamine
CID 141070723
4,7-dichloro-8-fluoro-2-methylquinoline
CID 43668400
4-chloro-6,7,8-trifluoro-2-methylquinoline
CID 15151234
4-chloro-2-methyl-6-(4-methylphenoxy)quinoline
CID 43668795
4-chloro-2-methyl-6-propan-2-yloxyquinoline
CID 22693554
4,5,6-trichloro-2-methylquinoline
CID 69171121
6-bromo-4,7,8-trichloro-2-methylquinoline
CID 107792863
(7-chloro-5-methylfuro[3,2-b]pyridin-2-yl)-trimethylsilane
CID 163278427
2,3-dimethylthieno[3,4-d]pyrimidin-4-one
CID 59961683

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylthieno[3,4-b]pyridine?
The IUPAC name of 4-chloro-2-methylthieno[3,4-b]pyridine (CID 141073454) is 4-chloro-2-methylthieno[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-2-methylthieno[3,4-b]pyridine?
The canonical SMILES for 4-chloro-2-methylthieno[3,4-b]pyridine is Cc1cc(Cl)c2cscc2n1.
What is the InChIKey of 4-chloro-2-methylthieno[3,4-b]pyridine?
The InChIKey is NQNGMIRBSONEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS/c1-5-2-7(9)6-3-11-4-8(6)10-5/h2-4H,1H3.
What are the key properties of 4-chloro-2-methylthieno[3,4-b]pyridine?
4-chloro-2-methylthieno[3,4-b]pyridine has a molecular weight of 183.66 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylthieno[3,4-b]pyridine is sourced from PubChem (CID 141073454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).