5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

C7H5BrN2O — CID 97181315

IUPAC5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Br)cc1C#N
InChIInChI=1S/C7H5BrN2O/c1-4-5(3-9)2-6(8)7(11)10-4/h2H,1H3,(H,10,11)
InChIKeyMBXZGOJTKAEFBE-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.32
Rot. Bonds

About 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 97181315) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID97181315
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Br)cc1C#N
InChIInChI=1S/C7H5BrN2O/c1-4-5(3-9)2-6(8)7(11)10-4/h2H,1H3,(H,10,11)
InChIKeyMBXZGOJTKAEFBE-UHFFFAOYSA-N
XLogP1.32
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 737752
3-Bromo-5,6-dimethyl-2(1H)-pyridinone
CID 50944339
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 590532
6-Ethyl-5-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 595279
3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169248960
5-Bromo-2,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinecarbonitrile
CID 1075170
4-Bromo-3-cyano-2-(difluoromethyl)-6-hydroxypyridine
CID 118816047
3-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130108605
3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 130108608
5-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130108614
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130108618
3-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130110106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 97181315) is 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(Br)cc1C#N.
What is the InChIKey of 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MBXZGOJTKAEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c1-4-5(3-9)2-6(8)7(11)10-4/h2H,1H3,(H,10,11).
What are the key properties of 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 97181315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).