4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine

C14H12Cl2IN — CID 114029831

IUPAC4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Cl)c1cc(Cl)ccc1I
InChIInChI=1S/C14H12Cl2IN/c1-9(10-4-6-18-7-5-10)14(16)12-8-11(15)2-3-13(12)17/h2-9,14H,1H3
InChIKeyMJATVNKWJJYSDI-UHFFFAOYSA-N
MW392.07 g/mol
LogP5.42
Rot. Bonds3

About 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine

4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine (PubChem CID 114029831) has the molecular formula C14H12Cl2IN and a molecular weight of 392.07 g/mol. Its IUPAC name is 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
PubChem CID114029831
Molecular FormulaC14H12Cl2IN
Molecular Weight392.07 g/mol
Exact Mass390.94
IUPAC Name4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Cl)c1cc(Cl)ccc1I
InChIInChI=1S/C14H12Cl2IN/c1-9(10-4-6-18-7-5-10)14(16)12-8-11(15)2-3-13(12)17/h2-9,14H,1H3
InChIKeyMJATVNKWJJYSDI-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.07
LogP ≤ 55.42
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'}

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Related Compounds

4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66458948
4-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66460565
4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967
1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol
CID 103222612
4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
CID 66453308
1-(2,4-dichlorophenyl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66447752
4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
CID 82818474
1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448703
4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
CID 114823989
4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
CID 66459346
4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
CID 66460366

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine (CID 114029831) is 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine is CC(c1ccncc1)C(Cl)c1cc(Cl)ccc1I.
What is the InChIKey of 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine?
The InChIKey is MJATVNKWJJYSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2IN/c1-9(10-4-6-18-7-5-10)14(16)12-8-11(15)2-3-13(12)17/h2-9,14H,1H3.
What are the key properties of 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine?
4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine has a molecular weight of 392.07 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 114029831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).