methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate

C9H6ClNO2S — CID 130058404

IUPACmethyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnccc2c1Cl
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,1H3
InChIKeyFZZMNPFVGQEQQQ-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.74
Rot. Bonds1

About methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate

methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 130058404) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate
PubChem CID130058404
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Namemethyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnccc2c1Cl
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,1H3
InChIKeyFZZMNPFVGQEQQQ-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 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate
CID 20885066
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
methyl 3-chloro-6-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)-1-benzothiophene-2-carboxylate
CID 19440279
3-methylthieno[2,3-c]pyridine-2-carboxamide
CID 141171273
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
methyl 3-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 19481412
methyl 3-chloro-6-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19506935
methyl 3-chloro-6-[(2-cyanoacetyl)amino]-1-benzothiophene-2-carboxylate
CID 168522191
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 39725242
methyl 3-chloro-6-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 19477078
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319

Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate (CID 130058404) is methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1sc2cnccc2c1Cl.
What is the InChIKey of methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is FZZMNPFVGQEQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,1H3.
What are the key properties of methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate?
methyl 3-chlorothieno[2,3-c]pyridine-2-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[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 130058404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).