2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine

C16H14Cl2FNO — CID 166625718

IUPAC2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine
SMILESC[C@H](Oc1ccnc(C2CC2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H14Cl2FNO/c1-9(15-12(17)4-5-13(19)16(15)18)21-11-6-7-20-14(8-11)10-2-3-10/h4-10H,2-3H2,1H3/t9-/m0/s1
InChIKeyHPVAEIPHNHYKPX-VIFPVBQESA-N
MW326.20 g/mol
LogP5.54
Rot. Bonds4

About 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine

2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine (PubChem CID 166625718) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine
PubChem CID166625718
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine
SMILESC[C@H](Oc1ccnc(C2CC2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H14Cl2FNO/c1-9(15-12(17)4-5-13(19)16(15)18)21-11-6-7-20-14(8-11)10-2-3-10/h4-10H,2-3H2,1H3/t9-/m0/s1
InChIKeyHPVAEIPHNHYKPX-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'}

Analyze 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
The IUPAC name of 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine (CID 166625718) is 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine.
What is the SMILES notation for 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
The canonical SMILES for 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine is C[C@H](Oc1ccnc(C2CC2)c1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
The InChIKey is HPVAEIPHNHYKPX-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-9(15-12(17)4-5-13(19)16(15)18)21-11-6-7-20-14(8-11)10-2-3-10/h4-10H,2-3H2,1H3/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine?
2-cyclopropyl-4-[(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-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine is sourced from PubChem (CID 166625718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).