5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine

C15H16BrClFN3O — CID 118555269

IUPAC5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(Br)cnc1N)c1cc(F)c(Cl)cc1N(C)C
InChIInChI=1S/C15H16BrClFN3O/c1-8(22-14-4-9(16)7-20-15(14)19)10-5-12(18)11(17)6-13(10)21(2)3/h4-8H,1-3H3,(H2,19,20)
InChIKeyUBYOKXHMYSJZCR-UHFFFAOYSA-N
MW388.67 g/mol
LogP4.42
Rot. Bonds4

About 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine

5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine (PubChem CID 118555269) has the molecular formula C15H16BrClFN3O and a molecular weight of 388.67 g/mol. Its IUPAC name is 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine
PubChem CID118555269
Molecular FormulaC15H16BrClFN3O
Molecular Weight388.67 g/mol
Exact Mass387.01
IUPAC Name5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(Br)cnc1N)c1cc(F)c(Cl)cc1N(C)C
InChIInChI=1S/C15H16BrClFN3O/c1-8(22-14-4-9(16)7-20-15(14)19)10-5-12(18)11(17)6-13(10)21(2)3/h4-8H,1-3H3,(H2,19,20)
InChIKeyUBYOKXHMYSJZCR-UHFFFAOYSA-N
XLogP4.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine (CID 118555269) is 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine is CC(Oc1cc(Br)cnc1N)c1cc(F)c(Cl)cc1N(C)C.
What is the InChIKey of 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine?
The InChIKey is UBYOKXHMYSJZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFN3O/c1-8(22-14-4-9(16)7-20-15(14)19)10-5-12(18)11(17)6-13(10)21(2)3/h4-8H,1-3H3,(H2,19,20).
What are the key properties of 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine?
5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine has a molecular weight of 388.67 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 118555269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).