4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine

C13H11ClFN — CID 63018718

IUPAC4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
SMILESFc1ccccc1CC(Cl)c1ccncc1
InChIInChI=1S/C13H11ClFN/c14-12(10-5-7-16-8-6-10)9-11-3-1-2-4-13(11)15/h1-8,12H,9H2
InChIKeyRQRUOHWUBGFHLZ-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.74
Rot. Bonds3

About 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine

4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine (PubChem CID 63018718) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
PubChem CID63018718
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
SMILESFc1ccccc1CC(Cl)c1ccncc1
InChIInChI=1S/C13H11ClFN/c14-12(10-5-7-16-8-6-10)9-11-3-1-2-4-13(11)15/h1-8,12H,9H2
InChIKeyRQRUOHWUBGFHLZ-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 53.74
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

1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
CID 55197766
1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea
CID 59012232

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine?
The IUPAC name of 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine (CID 63018718) is 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine.
What is the SMILES notation for 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine?
The canonical SMILES for 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine is Fc1ccccc1CC(Cl)c1ccncc1.
What is the InChIKey of 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine?
The InChIKey is RQRUOHWUBGFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-12(10-5-7-16-8-6-10)9-11-3-1-2-4-13(11)15/h1-8,12H,9H2.
What are the key properties of 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine?
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine has a molecular weight of 235.69 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine is sourced from PubChem (CID 63018718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).