2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

C8H5BrF2N2O — CID 130110337

IUPAC2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-5-3-4(7(10)11)6(1-2-12)13-8(5)14/h3,7H,1H2,(H,13,14)
InChIKeyQRFVLVDGXVFCSS-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.14
Rot. Bonds2

About 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 130110337) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID130110337
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-5-3-4(7(10)11)6(1-2-12)13-8(5)14/h3,7H,1H2,(H,13,14)
InChIKeyQRFVLVDGXVFCSS-UHFFFAOYSA-N
XLogP2.14
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084748
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 118815822
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
CID 130110666
2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792
2-[4-(difluoromethyl)-5-nitro-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118840092
2-[5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084342
2-[4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118835128
5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130076809
2-[5-bromo-2-(difluoromethyl)phenyl]acetonitrile
CID 84802985

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (CID 130110337) is 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is N#CCc1[nH]c(=O)c(Br)cc1C(F)F.
What is the InChIKey of 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is QRFVLVDGXVFCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c9-5-3-4(7(10)11)6(1-2-12)13-8(5)14/h3,7H,1H2,(H,13,14).
What are the key properties of 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile has a molecular weight of 263.04 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 130110337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).