2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine

C14H10BrClN4 — CID 116783085

IUPAC2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
SMILESNc1cc(Cl)cnc1Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H10BrClN4/c15-9-4-8-2-1-3-12(13(8)18-6-9)20-14-11(17)5-10(16)7-19-14/h1-7H,17H2,(H,19,20)
InChIKeyCDOKNCPXHOGOLD-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.37
Rot. Bonds2

About 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine

2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine (PubChem CID 116783085) has the molecular formula C14H10BrClN4 and a molecular weight of 349.62 g/mol. Its IUPAC name is 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
PubChem CID116783085
Molecular FormulaC14H10BrClN4
Molecular Weight349.62 g/mol
Exact Mass347.98
IUPAC Name2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
SMILESNc1cc(Cl)cnc1Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H10BrClN4/c15-9-4-8-2-1-3-12(13(8)18-6-9)20-14-11(17)5-10(16)7-19-14/h1-7H,17H2,(H,19,20)
InChIKeyCDOKNCPXHOGOLD-UHFFFAOYSA-N
XLogP4.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine?
The IUPAC name of 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine (CID 116783085) is 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine?
The canonical SMILES for 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine is Nc1cc(Cl)cnc1Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine?
The InChIKey is CDOKNCPXHOGOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4/c15-9-4-8-2-1-3-12(13(8)18-6-9)20-14-11(17)5-10(16)7-19-14/h1-7H,17H2,(H,19,20).
What are the key properties of 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine?
2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine has a molecular weight of 349.62 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine is sourced from PubChem (CID 116783085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).