2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine

C16H14Cl2FNO — CID 166625367

IUPAC2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine
SMILESC[C@H](Oc1cccc(C2CC2)n1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H14Cl2FNO/c1-9(15-11(17)7-8-12(19)16(15)18)21-14-4-2-3-13(20-14)10-5-6-10/h2-4,7-10H,5-6H2,1H3/t9-/m0/s1
InChIKeyPESZMOHWRDVGCD-VIFPVBQESA-N
MW326.20 g/mol
LogP5.54
Rot. Bonds4

About 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine

2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine (PubChem CID 166625367) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine
PubChem CID166625367
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine
SMILESC[C@H](Oc1cccc(C2CC2)n1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H14Cl2FNO/c1-9(15-11(17)7-8-12(19)16(15)18)21-14-4-2-3-13(20-14)10-5-6-10/h2-4,7-10H,5-6H2,1H3/t9-/m0/s1
InChIKeyPESZMOHWRDVGCD-VIFPVBQESA-N
XLogP5.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.20
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
The IUPAC name of 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine (CID 166625367) is 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine.
What is the SMILES notation for 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
The canonical SMILES for 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine is C[C@H](Oc1cccc(C2CC2)n1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
The InChIKey is PESZMOHWRDVGCD-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-9(15-11(17)7-8-12(19)16(15)18)21-14-4-2-3-13(20-14)10-5-6-10/h2-4,7-10H,5-6H2,1H3/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine has a molecular weight of 326.20 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine is sourced from PubChem (CID 166625367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).