6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine

C14H12ClFN2O — CID 118455894

IUPAC6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ccc(Cl)c(F)c3)CC2)nc1
InChIInChI=1S/C14H12ClFN2O/c15-11-3-1-9(7-12(11)16)14(5-6-14)19-13-4-2-10(17)8-18-13/h1-4,7-8H,5-6,17H2
InChIKeyPOSIWFYUIDNATR-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.52
Rot. Bonds3

About 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine

6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine (PubChem CID 118455894) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine.

Molecular Properties

Compound Name6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine
PubChem CID118455894
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ccc(Cl)c(F)c3)CC2)nc1
InChIInChI=1S/C14H12ClFN2O/c15-11-3-1-9(7-12(11)16)14(5-6-14)19-13-4-2-10(17)8-18-13/h1-4,7-8H,5-6,17H2
InChIKeyPOSIWFYUIDNATR-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine?
The IUPAC name of 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine (CID 118455894) is 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine.
What is the SMILES notation for 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine?
The canonical SMILES for 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine is Nc1ccc(OC2(c3ccc(Cl)c(F)c3)CC2)nc1.
What is the InChIKey of 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine?
The InChIKey is POSIWFYUIDNATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-3-1-9(7-12(11)16)14(5-6-14)19-13-4-2-10(17)8-18-13/h1-4,7-8H,5-6,17H2.
What are the key properties of 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine?
6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine has a molecular weight of 278.71 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxypyridin-3-amine is sourced from PubChem (CID 118455894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).