ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate

C13H16ClNO2S — CID 176685506

IUPACethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate
SMILESCC.CCOC(=O)c1cnc2c(C)csc2c1Cl
InChIInChI=1S/C11H10ClNO2S.C2H6/c1-3-15-11(14)7-4-13-9-6(2)5-16-10(9)8(7)12;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyUJDISAJGSKDSIC-UHFFFAOYSA-N
MW285.80 g/mol
LogP4.46
Rot. Bonds2

About ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate

ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate (PubChem CID 176685506) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate
PubChem CID176685506
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Nameethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate
SMILESCC.CCOC(=O)c1cnc2c(C)csc2c1Cl
InChIInChI=1S/C11H10ClNO2S.C2H6/c1-3-15-11(14)7-4-13-9-6(2)5-16-10(9)8(7)12;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyUJDISAJGSKDSIC-UHFFFAOYSA-N
XLogP4.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate
CID 18342946
ethyl 4-chloro-5-iodo-8-methylquinoline-3-carboxylate
CID 114257610
ethyl 3-(2-bromoethyl)-4-chlorothieno[3,2-c]pyridine-7-carboxylate
CID 174549944
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
CID 1479090
2-[(4,8-dichloro-3-ethoxycarbonylquinolin-7-yl)-methylamino]acetic acid
CID 122052207
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
ethyl 5-bromo-4-chloro-6,8-difluoroquinoline-3-carboxylate
CID 102854004
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate (CID 176685506) is ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate is CC.CCOC(=O)c1cnc2c(C)csc2c1Cl.
What is the InChIKey of ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is UJDISAJGSKDSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S.C2H6/c1-3-15-11(14)7-4-13-9-6(2)5-16-10(9)8(7)12;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate?
ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 285.80 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 176685506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).