5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine

C17H19ClFN3O — CID 67033349

IUPAC5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine
SMILESNc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1
InChIInChI=1S/C17H19ClFN3O/c18-15-10-22-17(20)8-13(15)14-7-12(1-2-16(14)19)21-9-11-3-5-23-6-4-11/h1-2,7-8,10-11,21H,3-6,9H2,(H2,20,22)
InChIKeyCAOMFAFTSZOVNU-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.96
Rot. Bonds4

About 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine

5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine (PubChem CID 67033349) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine
PubChem CID67033349
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine
SMILESNc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1
InChIInChI=1S/C17H19ClFN3O/c18-15-10-22-17(20)8-13(15)14-7-12(1-2-16(14)19)21-9-11-3-5-23-6-4-11/h1-2,7-8,10-11,21H,3-6,9H2,(H2,20,22)
InChIKeyCAOMFAFTSZOVNU-UHFFFAOYSA-N
XLogP3.96
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine (CID 67033349) is 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine is Nc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine?
The InChIKey is CAOMFAFTSZOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c18-15-10-22-17(20)8-13(15)14-7-12(1-2-16(14)19)21-9-11-3-5-23-6-4-11/h1-2,7-8,10-11,21H,3-6,9H2,(H2,20,22).
What are the key properties of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine?
5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine has a molecular weight of 335.81 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridin-2-amine is sourced from PubChem (CID 67033349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).