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

C13H10Cl2FN — CID 81262929

IUPAC2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
SMILESFc1c(Cl)cccc1C(Cl)Cc1ccccn1
InChIInChI=1S/C13H10Cl2FN/c14-11-6-3-5-10(13(11)16)12(15)8-9-4-1-2-7-17-9/h1-7,12H,8H2
InChIKeyBVWUQOLFTGBHQG-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.40
Rot. Bonds3

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

2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine (PubChem CID 81262929) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
PubChem CID81262929
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
SMILESFc1c(Cl)cccc1C(Cl)Cc1ccccn1
InChIInChI=1S/C13H10Cl2FN/c14-11-6-3-5-10(13(11)16)12(15)8-9-4-1-2-7-17-9/h1-7,12H,8H2
InChIKeyBVWUQOLFTGBHQG-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-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
CID 82878772
2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine
CID 113396606
1-(3-chloro-2-fluorophenyl)-N-ethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114488003
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
CID 66461583
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
2-[2-chloro-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66460381
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
CID 106645019
1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
CID 147465889
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
[1-(2-fluoro-3-methylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315397
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
CID 63988196

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine?
The IUPAC name of 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine (CID 81262929) is 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine is Fc1c(Cl)cccc1C(Cl)Cc1ccccn1.
What is the InChIKey of 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine?
The InChIKey is BVWUQOLFTGBHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-6-3-5-10(13(11)16)12(15)8-9-4-1-2-7-17-9/h1-7,12H,8H2.
What are the key properties of 2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine?
2-[2-chloro-2-(3-chloro-2-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-2-fluorophenyl)ethyl]pyridine is sourced from PubChem (CID 81262929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).