5-bromo-6-oxo-1H-pyridine-3-carbonitrile

C6H3BrN2O — CID 30772107

IUPAC5-bromo-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChIKeyNCIBXYJEJGGUFF-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.01
Rot. Bonds

About 5-bromo-6-oxo-1H-pyridine-3-carbonitrile

5-bromo-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 30772107) has the molecular formula C6H3BrN2O and a molecular weight of 199.01 g/mol. Its IUPAC name is 5-bromo-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID30772107
Molecular FormulaC6H3BrN2O
Molecular Weight199.01 g/mol
Exact Mass197.94
IUPAC Name5-bromo-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChIKeyNCIBXYJEJGGUFF-UHFFFAOYSA-N
XLogP1.01
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-oxo-1H-pyridine-3-carbonitrile (CID 30772107) is 5-bromo-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 5-bromo-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NCIBXYJEJGGUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10).
What are the key properties of 5-bromo-6-oxo-1H-pyridine-3-carbonitrile?
5-bromo-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 199.01 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 30772107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).