2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile

C7H5BrN2O — CID 68722586

IUPAC2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile
SMILESN#CCc1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H5BrN2O/c8-6-3-5(1-2-9)7(11)10-4-6/h3-4H,1H2,(H,10,11)
InChIKeyTXQSIWVKNWZPTN-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.20
Rot. Bonds1

About 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile

2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile (PubChem CID 68722586) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile
PubChem CID68722586
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile
SMILESN#CCc1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H5BrN2O/c8-6-3-5(1-2-9)7(11)10-4-6/h3-4H,1H2,(H,10,11)
InChIKeyTXQSIWVKNWZPTN-UHFFFAOYSA-N
XLogP1.20
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2-hydroxypyridine-3-carbonitrile
CID 7204870
5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 56972670
Oxo-1,2-dihydropyridine-3,5-dicarbonitrile
CID 84649010
3-Pyridineacetonitrile, 1,2-dihydro-2-oxo-
CID 21794740
2-Hydroxy-5-(trifluoromethyl)pyridine-3-acetonitrile
CID 118704394
2-(4-Bromo-5-(difluoromethyl)-2-hydroxypyridin-3-yl)acetonitrile
CID 118834328
2-(5-fluoro-2-oxo-1H-pyridin-3-yl)acetonitrile
CID 129918723
2-[4-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084764
2-[5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130097141
2-[5-bromo-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130110335
5-Bromo-6-oxo-1,6-dihydropyridine-3-carbonitrile
CID 30772107
6-Hydroxy-5-methylnicotinonitrile
CID 53487792

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile (CID 68722586) is 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile is N#CCc1cc(Br)c[nH]c1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile?
The InChIKey is TXQSIWVKNWZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-6-3-5(1-2-9)7(11)10-4-6/h3-4H,1H2,(H,10,11).
What are the key properties of 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile?
2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile is sourced from PubChem (CID 68722586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).