3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine

C21H16Cl2FNO — CID 129241725

IUPAC3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine
SMILESFc1ccccc1-c1ccncc1C1(OCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H16Cl2FNO/c22-15-5-6-19(23)14(11-15)13-26-21(8-9-21)18-12-25-10-7-16(18)17-3-1-2-4-20(17)24/h1-7,10-12H,8-9,13H2
InChIKeyATSXCZFATQDXEG-UHFFFAOYSA-N
MW388.27 g/mol
LogP6.40
Rot. Bonds5

About 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine

3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine (PubChem CID 129241725) has the molecular formula C21H16Cl2FNO and a molecular weight of 388.27 g/mol. Its IUPAC name is 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine
PubChem CID129241725
Molecular FormulaC21H16Cl2FNO
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine
SMILESFc1ccccc1-c1ccncc1C1(OCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H16Cl2FNO/c22-15-5-6-19(23)14(11-15)13-26-21(8-9-21)18-12-25-10-7-16(18)17-3-1-2-4-20(17)24/h1-7,10-12H,8-9,13H2
InChIKeyATSXCZFATQDXEG-UHFFFAOYSA-N
XLogP6.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine?
The IUPAC name of 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine (CID 129241725) is 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine.
What is the SMILES notation for 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine?
The canonical SMILES for 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine is Fc1ccccc1-c1ccncc1C1(OCc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine?
The InChIKey is ATSXCZFATQDXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FNO/c22-15-5-6-19(23)14(11-15)13-26-21(8-9-21)18-12-25-10-7-16(18)17-3-1-2-4-20(17)24/h1-7,10-12H,8-9,13H2.
What are the key properties of 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine?
3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine has a molecular weight of 388.27 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine is sourced from PubChem (CID 129241725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).