2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile

C9H7BrF2N2O — CID 118826974

IUPAC2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(CO)c(C(F)F)nc1CBr
InChIInChI=1S/C9H7BrF2N2O/c10-2-7-5(3-13)1-6(4-15)8(14-7)9(11)12/h1,9,15H,2,4H2
InChIKeyGKPWXZOPRJTFRY-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.28
Rot. Bonds3

About 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile

2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile (PubChem CID 118826974) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
PubChem CID118826974
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(CO)c(C(F)F)nc1CBr
InChIInChI=1S/C9H7BrF2N2O/c10-2-7-5(3-13)1-6(4-15)8(14-7)9(11)12/h1,9,15H,2,4H2
InChIKeyGKPWXZOPRJTFRY-UHFFFAOYSA-N
XLogP2.28
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
methyl 2-[5-(bromomethyl)-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133107532
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070299
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118815705
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118843738
5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078932
3-bromo-2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carbonitrile
CID 130108801
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130108796

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile (CID 118826974) is 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile is N#Cc1cc(CO)c(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
The InChIKey is GKPWXZOPRJTFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c10-2-7-5(3-13)1-6(4-15)8(14-7)9(11)12/h1,9,15H,2,4H2.
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile has a molecular weight of 277.07 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118826974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).