2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine

C14H13ClIN — CID 66459396

IUPAC2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)c1cccc(I)c1
InChIInChI=1S/C14H13ClIN/c1-10(13-7-2-3-8-17-13)14(15)11-5-4-6-12(16)9-11/h2-10,14H,1H3
InChIKeyJLFRUFUGWXJBFU-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.77
Rot. Bonds3

About 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine

2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine (PubChem CID 66459396) has the molecular formula C14H13ClIN and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
PubChem CID66459396
Molecular FormulaC14H13ClIN
Molecular Weight357.62 g/mol
Exact Mass356.98
IUPAC Name2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)c1cccc(I)c1
InChIInChI=1S/C14H13ClIN/c1-10(13-7-2-3-8-17-13)14(15)11-5-4-6-12(16)9-11/h2-10,14H,1H3
InChIKeyJLFRUFUGWXJBFU-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine 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

2-[1-chloro-1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
CID 79206044
2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine
CID 66459402
2-[1-chloro-1-(2,4,6-trifluorophenyl)propan-2-yl]pyridine
CID 66460615
2-[1-chloro-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66461007
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine
CID 79757736
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
chloro(pyridin-2-yl)methanamine
CID 22075524
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
ethane;2-(1-phenylethyl)pyridine
CID 143899083
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine (CID 66459396) is 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Cl)c1cccc(I)c1.
What is the InChIKey of 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine?
The InChIKey is JLFRUFUGWXJBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN/c1-10(13-7-2-3-8-17-13)14(15)11-5-4-6-12(16)9-11/h2-10,14H,1H3.
What are the key properties of 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine?
2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine has a molecular weight of 357.62 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66459396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).