1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine

C11H10ClF2N — CID 175450154

IUPAC1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cc(Cl)cc(F)c1N1CC=CCC1
InChIInChI=1S/C11H10ClF2N/c12-8-6-9(13)11(10(14)7-8)15-4-2-1-3-5-15/h1-2,6-7H,3-5H2
InChIKeyCQYSJHAEPWQXTQ-UHFFFAOYSA-N
MW229.66 g/mol
LogP3.38
Rot. Bonds1

About 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine

1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 175450154) has the molecular formula C11H10ClF2N and a molecular weight of 229.66 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID175450154
Molecular FormulaC11H10ClF2N
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cc(Cl)cc(F)c1N1CC=CCC1
InChIInChI=1S/C11H10ClF2N/c12-8-6-9(13)11(10(14)7-8)15-4-2-1-3-5-15/h1-2,6-7H,3-5H2
InChIKeyCQYSJHAEPWQXTQ-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine (CID 175450154) is 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine is Fc1cc(Cl)cc(F)c1N1CC=CCC1.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CQYSJHAEPWQXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N/c12-8-6-9(13)11(10(14)7-8)15-4-2-1-3-5-15/h1-2,6-7H,3-5H2.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine?
1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 229.66 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 175450154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).