N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide

C11H7BrCl2N2OS — CID 78986029

IUPACN-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide
SMILESO=C(NCc1sccc1Br)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H7BrCl2N2OS/c12-7-1-2-18-9(7)5-16-11(17)6-3-8(13)10(14)15-4-6/h1-4H,5H2,(H,16,17)
InChIKeyHHBUUWGQBJCFOI-UHFFFAOYSA-N
MW366.07 g/mol
LogP4.14
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 78986029) has the molecular formula C11H7BrCl2N2OS and a molecular weight of 366.07 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID78986029
Molecular FormulaC11H7BrCl2N2OS
Molecular Weight366.07 g/mol
Exact Mass363.88
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide
SMILESO=C(NCc1sccc1Br)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H7BrCl2N2OS/c12-7-1-2-18-9(7)5-16-11(17)6-3-8(13)10(14)15-4-6/h1-4H,5H2,(H,16,17)
InChIKeyHHBUUWGQBJCFOI-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.07
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-6-chloropyridine-3-carboxamide
CID 78986104
N-[(3-bromothiophen-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 78962520
5-[(3-bromothiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 78925537
4-(3-aminoprop-1-ynyl)-N-[(3-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81293972
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide
CID 78986114
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62847930
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide (CID 78986029) is N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide is O=C(NCc1sccc1Br)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is HHBUUWGQBJCFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2OS/c12-7-1-2-18-9(7)5-16-11(17)6-3-8(13)10(14)15-4-6/h1-4H,5H2,(H,16,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 366.07 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 78986029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).