N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide

C12H9BrN2O2 — CID 77235127

IUPACN-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide
SMILESO=C(NC=Cc1ccc(Br)o1)c1ccccn1
InChIInChI=1S/C12H9BrN2O2/c13-11-5-4-9(17-11)6-8-15-12(16)10-3-1-2-7-14-10/h1-8H,(H,15,16)
InChIKeyVHIBYTODLAYQET-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.84
Rot. Bonds3

About N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide

N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide (PubChem CID 77235127) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide
PubChem CID77235127
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC NameN-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide
SMILESO=C(NC=Cc1ccc(Br)o1)c1ccccn1
InChIInChI=1S/C12H9BrN2O2/c13-11-5-4-9(17-11)6-8-15-12(16)10-3-1-2-7-14-10/h1-8H,(H,15,16)
InChIKeyVHIBYTODLAYQET-UHFFFAOYSA-N
XLogP2.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide (CID 77235127) is N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide is O=C(NC=Cc1ccc(Br)o1)c1ccccn1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide?
The InChIKey is VHIBYTODLAYQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-11-5-4-9(17-11)6-8-15-12(16)10-3-1-2-7-14-10/h1-8H,(H,15,16).
What are the key properties of N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide?
N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide is sourced from PubChem (CID 77235127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).