7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide

C14H8Cl2N2O2S — CID 18516147

IUPAC7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(Cl)c2s1
InChIInChI=1S/C14H8Cl2N2O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,17,19)
InChIKeyNLYNEHVCNWNHNP-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.49
Rot. Bonds3

About 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide

7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 18516147) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID18516147
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(Cl)c2s1
InChIInChI=1S/C14H8Cl2N2O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,17,19)
InChIKeyNLYNEHVCNWNHNP-UHFFFAOYSA-N
XLogP4.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
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 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide (CID 18516147) is 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(Cl)c2s1.
What is the InChIKey of 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is NLYNEHVCNWNHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,17,19).
What are the key properties of 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 339.20 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 18516147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).