methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

C10H6ClF2NO2S — CID 146452686

IUPACmethyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c(C(F)F)cc(Cl)nc12
InChIInChI=1S/C10H6ClF2NO2S/c1-16-10(15)5-3-17-8-4(9(12)13)2-6(11)14-7(5)8/h2-3,9H,1H3
InChIKeyOCDWRNFBOUNHCF-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.67
Rot. Bonds2

About methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate (PubChem CID 146452686) has the molecular formula C10H6ClF2NO2S and a molecular weight of 277.68 g/mol. Its IUPAC name is methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
PubChem CID146452686
Molecular FormulaC10H6ClF2NO2S
Molecular Weight277.68 g/mol
Exact Mass276.98
IUPAC Namemethyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c(C(F)F)cc(Cl)nc12
InChIInChI=1S/C10H6ClF2NO2S/c1-16-10(15)5-3-17-8-4(9(12)13)2-6(11)14-7(5)8/h2-3,9H,1H3
InChIKeyOCDWRNFBOUNHCF-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate (CID 146452686) is methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate is COC(=O)c1csc2c(C(F)F)cc(Cl)nc12.
What is the InChIKey of methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The InChIKey is OCDWRNFBOUNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NO2S/c1-16-10(15)5-3-17-8-4(9(12)13)2-6(11)14-7(5)8/h2-3,9H,1H3.
What are the key properties of methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate has a molecular weight of 277.68 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 146452686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).