5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine

C14H8BrClFN3 — CID 67520767

IUPAC5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1cc2c(Cl)ccc(F)c2cn1
InChIInChI=1S/C14H8BrClFN3/c15-7-3-9(14(18)20-5-7)13-4-8-10(6-19-13)12(17)2-1-11(8)16/h1-6H,(H2,18,20)
InChIKeyQHBBCYYPPMQGFG-UHFFFAOYSA-N
MW352.59 g/mol
LogP4.43
Rot. Bonds1

About 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine

5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine (PubChem CID 67520767) has the molecular formula C14H8BrClFN3 and a molecular weight of 352.59 g/mol. Its IUPAC name is 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
PubChem CID67520767
Molecular FormulaC14H8BrClFN3
Molecular Weight352.59 g/mol
Exact Mass350.96
IUPAC Name5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1cc2c(Cl)ccc(F)c2cn1
InChIInChI=1S/C14H8BrClFN3/c15-7-3-9(14(18)20-5-7)13-4-8-10(6-19-13)12(17)2-1-11(8)16/h1-6H,(H2,18,20)
InChIKeyQHBBCYYPPMQGFG-UHFFFAOYSA-N
XLogP4.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine (CID 67520767) is 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine is Nc1ncc(Br)cc1-c1cc2c(Cl)ccc(F)c2cn1.
What is the InChIKey of 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
The InChIKey is QHBBCYYPPMQGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFN3/c15-7-3-9(14(18)20-5-7)13-4-8-10(6-19-13)12(17)2-1-11(8)16/h1-6H,(H2,18,20).
What are the key properties of 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine has a molecular weight of 352.59 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine is sourced from PubChem (CID 67520767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).