4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide

C8H6BrN3OS — CID 58840713

IUPAC4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(Br)sc12
InChIInChI=1S/C8H6BrN3OS/c9-5-1-3-6(14-5)4(8(11)13)2-12-7(3)10/h1-2H,(H2,10,12)(H2,11,13)
InChIKeyKBJKAURPHBWEOT-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.74
Rot. Bonds1

About 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide

4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide (PubChem CID 58840713) has the molecular formula C8H6BrN3OS and a molecular weight of 272.13 g/mol. Its IUPAC name is 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
PubChem CID58840713
Molecular FormulaC8H6BrN3OS
Molecular Weight272.13 g/mol
Exact Mass270.94
IUPAC Name4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(Br)sc12
InChIInChI=1S/C8H6BrN3OS/c9-5-1-3-6(14-5)4(8(11)13)2-12-7(3)10/h1-2H,(H2,10,12)(H2,11,13)
InChIKeyKBJKAURPHBWEOT-UHFFFAOYSA-N
XLogP1.74
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide (CID 58840713) is 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N)c2cc(Br)sc12.
What is the InChIKey of 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is KBJKAURPHBWEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS/c9-5-1-3-6(14-5)4(8(11)13)2-12-7(3)10/h1-2H,(H2,10,12)(H2,11,13).
What are the key properties of 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 58840713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).