4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide

C14H8BrClN2O2S — CID 10156827

IUPAC4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(Br)cc3)c(Cl)ncc2s1
InChIInChI=1S/C14H8BrClN2O2S/c15-7-1-3-8(4-2-7)20-12-9-5-10(14(17)19)21-11(9)6-18-13(12)16/h1-6H,(H2,17,19)
InChIKeyBIKJNOPYUNEPNK-UHFFFAOYSA-N
MW383.65 g/mol
LogP4.60
Rot. Bonds3

About 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide

4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10156827) has the molecular formula C14H8BrClN2O2S and a molecular weight of 383.65 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide
PubChem CID10156827
Molecular FormulaC14H8BrClN2O2S
Molecular Weight383.65 g/mol
Exact Mass381.92
IUPAC Name4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(Br)cc3)c(Cl)ncc2s1
InChIInChI=1S/C14H8BrClN2O2S/c15-7-1-3-8(4-2-7)20-12-9-5-10(14(17)19)21-11(9)6-18-13(12)16/h1-6H,(H2,17,19)
InChIKeyBIKJNOPYUNEPNK-UHFFFAOYSA-N
XLogP4.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.65
LogP ≤ 54.60
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 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide (CID 10156827) is 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Oc3ccc(Br)cc3)c(Cl)ncc2s1.
What is the InChIKey of 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is BIKJNOPYUNEPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2S/c15-7-1-3-8(4-2-7)20-12-9-5-10(14(17)19)21-11(9)6-18-13(12)16/h1-6H,(H2,17,19).
What are the key properties of 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide?
4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 383.65 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10156827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).