methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate

C9H6ClNO2S — CID 18950577

IUPACmethyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2scc(Cl)c2n1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)6-2-3-7-8(11-6)5(10)4-14-7/h2-4H,1H3
InChIKeyGLGXKZKYRRRTOP-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.74
Rot. Bonds1

About methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate

methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate (PubChem CID 18950577) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
PubChem CID18950577
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Namemethyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2scc(Cl)c2n1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)6-2-3-7-8(11-6)5(10)4-14-7/h2-4H,1H3
InChIKeyGLGXKZKYRRRTOP-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-chloro-8-methylquinoline-2-carboxylate
CID 102941507
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 6-chloro-8-iodoquinoline-2-carboxylate
CID 107629381
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 6-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CID 82250624
methyl 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 113306457
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 8-sulfanylquinoline-2-carboxylate
CID 13378243
methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636682
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241

Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate (CID 18950577) is methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate is COC(=O)c1ccc2scc(Cl)c2n1.
What is the InChIKey of methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate?
The InChIKey is GLGXKZKYRRRTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c1-13-9(12)6-2-3-7-8(11-6)5(10)4-14-7/h2-4H,1H3.
What are the key properties of methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate?
methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate has a molecular weight of 227.67 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 18950577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).