5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine

C16H13BrFN3O — CID 124675155

IUPAC5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(Br)cnc1N)c1cc(F)cc2cccnc12
InChIInChI=1S/C16H13BrFN3O/c1-9(22-14-6-11(17)8-21-16(14)19)13-7-12(18)5-10-3-2-4-20-15(10)13/h2-9H,1H3,(H2,19,21)/t9-/m1/s1
InChIKeyDGRDNNYLEXGESS-SECBINFHSA-N
MW362.20 g/mol
LogP4.25
Rot. Bonds3

About 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine

5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine (PubChem CID 124675155) has the molecular formula C16H13BrFN3O and a molecular weight of 362.20 g/mol. Its IUPAC name is 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
PubChem CID124675155
Molecular FormulaC16H13BrFN3O
Molecular Weight362.20 g/mol
Exact Mass361.02
IUPAC Name5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(Br)cnc1N)c1cc(F)cc2cccnc12
InChIInChI=1S/C16H13BrFN3O/c1-9(22-14-6-11(17)8-21-16(14)19)13-7-12(18)5-10-3-2-4-20-15(10)13/h2-9H,1H3,(H2,19,21)/t9-/m1/s1
InChIKeyDGRDNNYLEXGESS-SECBINFHSA-N
XLogP4.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine (CID 124675155) is 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine is C[C@@H](Oc1cc(Br)cnc1N)c1cc(F)cc2cccnc12.
What is the InChIKey of 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine?
The InChIKey is DGRDNNYLEXGESS-SECBINFHSA-N. The full InChI is InChI=1S/C16H13BrFN3O/c1-9(22-14-6-11(17)8-21-16(14)19)13-7-12(18)5-10-3-2-4-20-15(10)13/h2-9H,1H3,(H2,19,21)/t9-/m1/s1.
What are the key properties of 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine?
5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine has a molecular weight of 362.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 124675155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).