4-(3-chloro-4-fluorophenoxy)pyridin-3-amine

C11H8ClFN2O — CID 63878452

IUPAC4-(3-chloro-4-fluorophenoxy)pyridin-3-amine
SMILESNc1cnccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN2O/c12-8-5-7(1-2-9(8)13)16-11-3-4-15-6-10(11)14/h1-6H,14H2
InChIKeyMJWWTVBDTLQJQF-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.25
Rot. Bonds2

About 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine

4-(3-chloro-4-fluorophenoxy)pyridin-3-amine (PubChem CID 63878452) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)pyridin-3-amine
PubChem CID63878452
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-(3-chloro-4-fluorophenoxy)pyridin-3-amine
SMILESNc1cnccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN2O/c12-8-5-7(1-2-9(8)13)16-11-3-4-15-6-10(11)14/h1-6H,14H2
InChIKeyMJWWTVBDTLQJQF-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine (CID 63878452) is 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine is Nc1cnccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine?
The InChIKey is MJWWTVBDTLQJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-8-5-7(1-2-9(8)13)16-11-3-4-15-6-10(11)14/h1-6H,14H2.
What are the key properties of 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine?
4-(3-chloro-4-fluorophenoxy)pyridin-3-amine has a molecular weight of 238.65 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)pyridin-3-amine is sourced from PubChem (CID 63878452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).