3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine

C13H10Cl2FN — CID 63016457

IUPAC3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
SMILESFc1cccc(Cl)c1CC(Cl)c1cccnc1
InChIInChI=1S/C13H10Cl2FN/c14-11-4-1-5-13(16)10(11)7-12(15)9-3-2-6-17-8-9/h1-6,8,12H,7H2
InChIKeyXGGWMBUUJDDQMN-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.40
Rot. Bonds3

About 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine

3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine (PubChem CID 63016457) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
PubChem CID63016457
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
SMILESFc1cccc(Cl)c1CC(Cl)c1cccnc1
InChIInChI=1S/C13H10Cl2FN/c14-11-4-1-5-13(16)10(11)7-12(15)9-3-2-6-17-8-9/h1-6,8,12H,7H2
InChIKeyXGGWMBUUJDDQMN-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

3-[1-chloro-2-(4-chlorophenyl)ethyl]pyridine
CID 63016477
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518309
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
[2-(2,6-dichlorophenyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196072
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 80530346
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
CID 7207491
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981

Frequently Asked Questions

What is the IUPAC name of 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine?
The IUPAC name of 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine (CID 63016457) is 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine.
What is the SMILES notation for 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine?
The canonical SMILES for 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine is Fc1cccc(Cl)c1CC(Cl)c1cccnc1.
What is the InChIKey of 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine?
The InChIKey is XGGWMBUUJDDQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-4-1-5-13(16)10(11)7-12(15)9-3-2-6-17-8-9/h1-6,8,12H,7H2.
What are the key properties of 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine?
3-[1-chloro-2-(2-chloro-6-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 3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine is sourced from PubChem (CID 63016457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).