4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine

C14H10ClFN4 — CID 122443292

IUPAC4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine
SMILESNc1cc(-c2nccc3ccc(Cl)cc23)c(F)c(N)n1
InChIInChI=1S/C14H10ClFN4/c15-8-2-1-7-3-4-19-13(9(7)5-8)10-6-11(17)20-14(18)12(10)16/h1-6H,(H4,17,18,20)
InChIKeyZZPZIYAHCHFWNS-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.25
Rot. Bonds1

About 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine

4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine (PubChem CID 122443292) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine.

Molecular Properties

Compound Name4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine
PubChem CID122443292
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine
SMILESNc1cc(-c2nccc3ccc(Cl)cc23)c(F)c(N)n1
InChIInChI=1S/C14H10ClFN4/c15-8-2-1-7-3-4-19-13(9(7)5-8)10-6-11(17)20-14(18)12(10)16/h1-6H,(H4,17,18,20)
InChIKeyZZPZIYAHCHFWNS-UHFFFAOYSA-N
XLogP3.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine?
The IUPAC name of 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine (CID 122443292) is 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine.
What is the SMILES notation for 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine?
The canonical SMILES for 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine is Nc1cc(-c2nccc3ccc(Cl)cc23)c(F)c(N)n1.
What is the InChIKey of 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine?
The InChIKey is ZZPZIYAHCHFWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-8-2-1-7-3-4-19-13(9(7)5-8)10-6-11(17)20-14(18)12(10)16/h1-6H,(H4,17,18,20).
What are the key properties of 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine?
4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine has a molecular weight of 288.71 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroisoquinolin-1-yl)-3-fluoropyridine-2,6-diamine is sourced from PubChem (CID 122443292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).