6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile

C7H3BrF2N2O — CID 118996006

IUPAC6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(C(F)F)cc1O
InChIInChI=1S/C7H3BrF2N2O/c8-6-3(7(9)10)1-5(13)4(2-11)12-6/h1,7,13H
InChIKeyXBVOPAJEQUNWJN-UHFFFAOYSA-N
MW249.01 g/mol
LogP2.36
Rot. Bonds1

About 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile

6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (PubChem CID 118996006) has the molecular formula C7H3BrF2N2O and a molecular weight of 249.01 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
PubChem CID118996006
Molecular FormulaC7H3BrF2N2O
Molecular Weight249.01 g/mol
Exact Mass247.94
IUPAC Name6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(C(F)F)cc1O
InChIInChI=1S/C7H3BrF2N2O/c8-6-3(7(9)10)1-5(13)4(2-11)12-6/h1,7,13H
InChIKeyXBVOPAJEQUNWJN-UHFFFAOYSA-N
XLogP2.36
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (CID 118996006) is 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is N#Cc1nc(Br)c(C(F)F)cc1O.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The InChIKey is XBVOPAJEQUNWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O/c8-6-3(7(9)10)1-5(13)4(2-11)12-6/h1,7,13H.
What are the key properties of 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile has a molecular weight of 249.01 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 118996006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).