N-benzyl-6-chloro-4-iodopyridin-2-amine

C12H10ClIN2 — CID 87184942

IUPACN-benzyl-6-chloro-4-iodopyridin-2-amine
SMILESClc1cc(I)cc(NCc2ccccc2)n1
InChIInChI=1S/C12H10ClIN2/c13-11-6-10(14)7-12(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyQUDKJVBDXFAZAG-UHFFFAOYSA-N
MW344.58 g/mol
LogP3.95
Rot. Bonds3

About N-benzyl-6-chloro-4-iodopyridin-2-amine

N-benzyl-6-chloro-4-iodopyridin-2-amine (PubChem CID 87184942) has the molecular formula C12H10ClIN2 and a molecular weight of 344.58 g/mol. Its IUPAC name is N-benzyl-6-chloro-4-iodopyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-4-iodopyridin-2-amine
PubChem CID87184942
Molecular FormulaC12H10ClIN2
Molecular Weight344.58 g/mol
Exact Mass343.96
IUPAC NameN-benzyl-6-chloro-4-iodopyridin-2-amine
SMILESClc1cc(I)cc(NCc2ccccc2)n1
InChIInChI=1S/C12H10ClIN2/c13-11-6-10(14)7-12(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyQUDKJVBDXFAZAG-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-6-chloro-4-iodopyridin-2-amine 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-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
CID 77230922
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
N-benzyl-6-chloro-4-isocyanatopyridin-2-amine
CID 58636602
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
N-benzyl-4-chloroquinolin-2-amine
CID 146441058
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
methyl 6-(benzylamino)-2-chloropyrimidine-4-carboxylate
CID 87563470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-4-iodopyridin-2-amine?
The IUPAC name of N-benzyl-6-chloro-4-iodopyridin-2-amine (CID 87184942) is N-benzyl-6-chloro-4-iodopyridin-2-amine.
What is the SMILES notation for N-benzyl-6-chloro-4-iodopyridin-2-amine?
The canonical SMILES for N-benzyl-6-chloro-4-iodopyridin-2-amine is Clc1cc(I)cc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-chloro-4-iodopyridin-2-amine?
The InChIKey is QUDKJVBDXFAZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2/c13-11-6-10(14)7-12(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16).
What are the key properties of N-benzyl-6-chloro-4-iodopyridin-2-amine?
N-benzyl-6-chloro-4-iodopyridin-2-amine has a molecular weight of 344.58 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-4-iodopyridin-2-amine is sourced from PubChem (CID 87184942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).