5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide

C11H10BrCl2N3OS — CID 68661745

IUPAC5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
SMILESBr.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1sccc1Cl
InChIInChI=1S/C11H9Cl2N3OS.BrH/c12-6-3-7(11(15)17)10(14)16(4-6)5-9-8(13)1-2-18-9;/h1-4,14H,5H2,(H2,15,17);1H/b14-10-;
InChIKeyGJLGPKAGRUWJRV-DZOOLQPHSA-N
MW383.10 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide

5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide (PubChem CID 68661745) has the molecular formula C11H10BrCl2N3OS and a molecular weight of 383.10 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
PubChem CID68661745
Molecular FormulaC11H10BrCl2N3OS
Molecular Weight383.10 g/mol
Exact Mass380.91
IUPAC Name5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
SMILESBr.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1sccc1Cl
InChIInChI=1S/C11H9Cl2N3OS.BrH/c12-6-3-7(11(15)17)10(14)16(4-6)5-9-8(13)1-2-18-9;/h1-4,14H,5H2,(H2,15,17);1H/b14-10-;
InChIKeyGJLGPKAGRUWJRV-DZOOLQPHSA-N
XLogP3.06
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.10
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide 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 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
The IUPAC name of 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide (CID 68661745) is 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide.
What is the SMILES notation for 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
The canonical SMILES for 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide is Br.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1sccc1Cl.
What is the InChIKey of 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
The InChIKey is GJLGPKAGRUWJRV-DZOOLQPHSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS.BrH/c12-6-3-7(11(15)17)10(14)16(4-6)5-9-8(13)1-2-18-9;/h1-4,14H,5H2,(H2,15,17);1H/b14-10-;.
What are the key properties of 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide has a molecular weight of 383.10 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chlorothiophen-2-yl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide is sourced from PubChem (CID 68661745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).