4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide

C13H12BrClN4O — CID 136852795

IUPAC4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNc2ccc(Br)c(Cl)c2)ccn1
InChIInChI=1S/C13H12BrClN4O/c14-10-2-1-9(6-11(10)15)18-7-8-3-4-17-12(5-8)13(16)19-20/h1-6,18,20H,7H2,(H2,16,19)
InChIKeyVREQPIHHJWZAJR-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.20
Rot. Bonds4

About 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136852795) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136852795
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC Name4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNc2ccc(Br)c(Cl)c2)ccn1
InChIInChI=1S/C13H12BrClN4O/c14-10-2-1-9(6-11(10)15)18-7-8-3-4-17-12(5-8)13(16)19-20/h1-6,18,20H,7H2,(H2,16,19)
InChIKeyVREQPIHHJWZAJR-UHFFFAOYSA-N
XLogP3.20
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide 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-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136687951
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
CID 136759655
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136869301
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136952615

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136852795) is 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(CNc2ccc(Br)c(Cl)c2)ccn1.
What is the InChIKey of 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is VREQPIHHJWZAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c14-10-2-1-9(6-11(10)15)18-7-8-3-4-17-12(5-8)13(16)19-20/h1-6,18,20H,7H2,(H2,16,19).
What are the key properties of 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 355.62 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136852795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).