2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine

C13H10Cl2FN — CID 82878772

IUPAC2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
SMILESFc1ccc(C(Cl)Cc2ccccn2)cc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-11(8-10-3-1-2-6-17-10)9-4-5-13(16)12(15)7-9/h1-7,11H,8H2
InChIKeyJQORYIAJHJPXJB-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.40
Rot. Bonds3

About 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine

2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine (PubChem CID 82878772) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
PubChem CID82878772
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
SMILESFc1ccc(C(Cl)Cc2ccccn2)cc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-11(8-10-3-1-2-6-17-10)9-4-5-13(16)12(15)7-9/h1-7,11H,8H2
InChIKeyJQORYIAJHJPXJB-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
CID 66454388
2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
CID 81262929
2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine
CID 113396606
1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 103039837
2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine
CID 130747024
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 107989076
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
CID 66454612
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182
2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
CID 66461583
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine?
The IUPAC name of 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine (CID 82878772) is 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine is Fc1ccc(C(Cl)Cc2ccccn2)cc1Cl.
What is the InChIKey of 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine?
The InChIKey is JQORYIAJHJPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11(8-10-3-1-2-6-17-10)9-4-5-13(16)12(15)7-9/h1-7,11H,8H2.
What are the key properties of 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine?
2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine has a molecular weight of 270.13 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine is sourced from PubChem (CID 82878772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).