3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine

C18H20ClF2N3O — CID 166094685

IUPAC3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine
SMILESCC(C)[C@@H]1CN(c2ccc(-c3cc(Cl)c(N)nc3F)c(F)c2)CCO1
InChIInChI=1S/C18H20ClF2N3O/c1-10(2)16-9-24(5-6-25-16)11-3-4-12(15(20)7-11)13-8-14(19)18(22)23-17(13)21/h3-4,7-8,10,16H,5-6,9H2,1-2H3,(H2,22,23)/t16-/m0/s1
InChIKeyUWYFFFISVJNZCL-INIZCTEOSA-N
MW367.83 g/mol
LogP4.12
Rot. Bonds3

About 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine

3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine (PubChem CID 166094685) has the molecular formula C18H20ClF2N3O and a molecular weight of 367.83 g/mol. Its IUPAC name is 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine
PubChem CID166094685
Molecular FormulaC18H20ClF2N3O
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine
SMILESCC(C)[C@@H]1CN(c2ccc(-c3cc(Cl)c(N)nc3F)c(F)c2)CCO1
InChIInChI=1S/C18H20ClF2N3O/c1-10(2)16-9-24(5-6-25-16)11-3-4-12(15(20)7-11)13-8-14(19)18(22)23-17(13)21/h3-4,7-8,10,16H,5-6,9H2,1-2H3,(H2,22,23)/t16-/m0/s1
InChIKeyUWYFFFISVJNZCL-INIZCTEOSA-N
XLogP4.12
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-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 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine?
The IUPAC name of 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine (CID 166094685) is 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine is CC(C)[C@@H]1CN(c2ccc(-c3cc(Cl)c(N)nc3F)c(F)c2)CCO1.
What is the InChIKey of 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine?
The InChIKey is UWYFFFISVJNZCL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClF2N3O/c1-10(2)16-9-24(5-6-25-16)11-3-4-12(15(20)7-11)13-8-14(19)18(22)23-17(13)21/h3-4,7-8,10,16H,5-6,9H2,1-2H3,(H2,22,23)/t16-/m0/s1.
What are the key properties of 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine?
3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine has a molecular weight of 367.83 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 166094685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).