N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide

C12H9BrClN3 — CID 119056721

IUPACN'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide
SMILESN/C(=N\c1ccc(Br)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClN3/c13-9-3-6-11(16-7-9)17-12(15)8-1-4-10(14)5-2-8/h1-7H,(H2,15,16,17)
InChIKeyUIPVCJPLOPWGQX-UHFFFAOYSA-N
MW310.58 g/mol
LogP3.53
Rot. Bonds2

About N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide

N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide (PubChem CID 119056721) has the molecular formula C12H9BrClN3 and a molecular weight of 310.58 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide
PubChem CID119056721
Molecular FormulaC12H9BrClN3
Molecular Weight310.58 g/mol
Exact Mass308.97
IUPAC NameN'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide
SMILESN/C(=N\c1ccc(Br)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClN3/c13-9-3-6-11(16-7-9)17-12(15)8-1-4-10(14)5-2-8/h1-7H,(H2,15,16,17)
InChIKeyUIPVCJPLOPWGQX-UHFFFAOYSA-N
XLogP3.53
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide 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

4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167
N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide
CID 121002276
4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
CID 14896608
[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302
N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide
CID 66746222
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
1-bromo-4-chlorobenzene
CID 7806
3-[(5-bromo-2-pyridinyl)amino]-1-(4-chlorophenyl)prop-2-en-1-one
CID 871054
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667
[(E)-[(4-bromophenyl)-(4-chlorophenyl)methylidene]amino]thiourea
CID 46233044
4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 104797612

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide (CID 119056721) is N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide is N/C(=N\c1ccc(Br)cn1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide?
The InChIKey is UIPVCJPLOPWGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3/c13-9-3-6-11(16-7-9)17-12(15)8-1-4-10(14)5-2-8/h1-7H,(H2,15,16,17).
What are the key properties of N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide?
N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide has a molecular weight of 310.58 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 119056721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).