methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate

C10H5ClN2O2S — CID 69252041

IUPACmethyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)c(C#N)cnc2s1
InChIInChI=1S/C10H5ClN2O2S/c1-15-10(14)7-2-6-8(11)5(3-12)4-13-9(6)16-7/h2,4H,1H3
InChIKeyGOXHVDFLRBTQQS-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.61
Rot. Bonds1

About methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate

methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 69252041) has the molecular formula C10H5ClN2O2S and a molecular weight of 252.68 g/mol. Its IUPAC name is methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate
PubChem CID69252041
Molecular FormulaC10H5ClN2O2S
Molecular Weight252.68 g/mol
Exact Mass251.98
IUPAC Namemethyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)c(C#N)cnc2s1
InChIInChI=1S/C10H5ClN2O2S/c1-15-10(14)7-2-6-8(11)5(3-12)4-13-9(6)16-7/h2,4H,1H3
InChIKeyGOXHVDFLRBTQQS-UHFFFAOYSA-N
XLogP2.61
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (E)-3-(4-chloro-5-cyanothieno[2,3-b]pyridin-2-yl)prop-2-enoate
CID 86611807
methyl 5-bromo-4-cyanothiophene-2-carboxylate
CID 131359808
4-chloro-2-(2,4-dimethoxypyrimidin-5-yl)thieno[2,3-b]pyridine-5-carbonitrile
CID 170606891
methyl 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 58622488
methyl 5-cyano-6-iodopyridine-3-carboxylate
CID 164905377
methyl 4-chloro-3-cyano-5-(trifluoromethyl)benzoate
CID 134646252
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) 2,2-dimethylpropanoate
CID 141337524
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
(4-chloro-3-cyano-7-hydroxyquinolin-6-yl) acetate
CID 136614427
methyl 2-(2-chloro-5-cyano-4-pyridinyl)acetate
CID 131074208
ethane;methyl 5-cyano-6-methylpyridine-3-carboxylate
CID 164905739
methyl 2-(3-cyano-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571491

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate (CID 69252041) is methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2c(Cl)c(C#N)cnc2s1.
What is the InChIKey of methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is GOXHVDFLRBTQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O2S/c1-15-10(14)7-2-6-8(11)5(3-12)4-13-9(6)16-7/h2,4H,1H3.
What are the key properties of methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 252.68 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 69252041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).