2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C17H9BrN4O2 — CID 169395325

IUPAC2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C17H9BrN4O2/c18-9-2-3-10-8(5-9)1-4-13(23)15(10)14-11(6-19)16(21)22-17(24)12(14)7-20/h1-5,23H,(H3,21,22,24)
InChIKeyYSDPBAHUOPDUAJ-UHFFFAOYSA-N
MW381.19 g/mol
LogP2.99
Rot. Bonds1

About 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395325) has the molecular formula C17H9BrN4O2 and a molecular weight of 381.19 g/mol. Its IUPAC name is 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395325
Molecular FormulaC17H9BrN4O2
Molecular Weight381.19 g/mol
Exact Mass379.99
IUPAC Name2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C17H9BrN4O2/c18-9-2-3-10-8(5-9)1-4-13(23)15(10)14-11(6-19)16(21)22-17(24)12(14)7-20/h1-5,23H,(H3,21,22,24)
InChIKeyYSDPBAHUOPDUAJ-UHFFFAOYSA-N
XLogP2.99
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395325) is 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is YSDPBAHUOPDUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrN4O2/c18-9-2-3-10-8(5-9)1-4-13(23)15(10)14-11(6-19)16(21)22-17(24)12(14)7-20/h1-5,23H,(H3,21,22,24).
What are the key properties of 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 381.19 g/mol, XLogP of 2.99, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).