N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine

C12H10ClFN2O2 — CID 91228648

IUPACN-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine
SMILESCOc1cccc(F)c1Oc1ncccc1NCl
InChIInChI=1S/C12H10ClFN2O2/c1-17-10-6-2-4-8(14)11(10)18-12-9(16-13)5-3-7-15-12/h2-7,16H,1H3
InChIKeyIVEUBHREZHODHM-UHFFFAOYSA-N
MW268.68 g/mol
LogP3.59
Rot. Bonds4

About N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine

N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine (PubChem CID 91228648) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine
PubChem CID91228648
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC NameN-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine
SMILESCOc1cccc(F)c1Oc1ncccc1NCl
InChIInChI=1S/C12H10ClFN2O2/c1-17-10-6-2-4-8(14)11(10)18-12-9(16-13)5-3-7-15-12/h2-7,16H,1H3
InChIKeyIVEUBHREZHODHM-UHFFFAOYSA-N
XLogP3.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine 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 N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine?
The IUPAC name of N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine (CID 91228648) is N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine.
What is the SMILES notation for N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine?
The canonical SMILES for N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine is COc1cccc(F)c1Oc1ncccc1NCl.
What is the InChIKey of N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine?
The InChIKey is IVEUBHREZHODHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-17-10-6-2-4-8(14)11(10)18-12-9(16-13)5-3-7-15-12/h2-7,16H,1H3.
What are the key properties of N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine?
N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine has a molecular weight of 268.68 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(2-fluoro-6-methoxyphenoxy)pyridin-3-amine is sourced from PubChem (CID 91228648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).