5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine

C11H7BrClFN2O — CID 143829728

IUPAC5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine
SMILESFc1ccc(ONc2cc(Br)cnc2Cl)cc1
InChIInChI=1S/C11H7BrClFN2O/c12-7-5-10(11(13)15-6-7)16-17-9-3-1-8(14)2-4-9/h1-6,16H
InChIKeyANLQGNJCAHLQMO-UHFFFAOYSA-N
MW317.55 g/mol
LogP4.04
Rot. Bonds3

About 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine

5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine (PubChem CID 143829728) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine
PubChem CID143829728
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine
SMILESFc1ccc(ONc2cc(Br)cnc2Cl)cc1
InChIInChI=1S/C11H7BrClFN2O/c12-7-5-10(11(13)15-6-7)16-17-9-3-1-8(14)2-4-9/h1-6,16H
InChIKeyANLQGNJCAHLQMO-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine (CID 143829728) is 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine is Fc1ccc(ONc2cc(Br)cnc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine?
The InChIKey is ANLQGNJCAHLQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-7-5-10(11(13)15-6-7)16-17-9-3-1-8(14)2-4-9/h1-6,16H.
What are the key properties of 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine?
5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine has a molecular weight of 317.55 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine is sourced from PubChem (CID 143829728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).