2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile

C8H5BrF2N2O — CID 119018233

IUPAC2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)c(O)c(Br)n1
InChIInChI=1S/C8H5BrF2N2O/c9-7-6(14)5(8(10)11)3-4(13-7)1-2-12/h3,8,14H,1H2
InChIKeyBTWSVKQINKHZLZ-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.55
Rot. Bonds2

About 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile

2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile (PubChem CID 119018233) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
PubChem CID119018233
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)c(O)c(Br)n1
InChIInChI=1S/C8H5BrF2N2O/c9-7-6(14)5(8(10)11)3-4(13-7)1-2-12/h3,8,14H,1H2
InChIKeyBTWSVKQINKHZLZ-UHFFFAOYSA-N
XLogP2.55
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130069314
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118817542
2-[6-bromo-5-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 119005589
2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
CID 119004848
2-[4-bromo-6-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118805956
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130076567
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-[4-bromo-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 118817667
2-[4-bromo-5-(difluoromethyl)-6-iodo-2-pyridinyl]acetonitrile
CID 118833024
2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile (CID 119018233) is 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile is N#CCc1cc(C(F)F)c(O)c(Br)n1.
What is the InChIKey of 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
The InChIKey is BTWSVKQINKHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c9-7-6(14)5(8(10)11)3-4(13-7)1-2-12/h3,8,14H,1H2.
What are the key properties of 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile has a molecular weight of 263.04 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 119018233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).