5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile

C9H7BrF2N2O — CID 130078912

IUPAC5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(CBr)cnc(C(F)F)c1CO
InChIInChI=1S/C9H7BrF2N2O/c10-1-5-3-14-8(9(11)12)7(4-15)6(5)2-13/h3,9,15H,1,4H2
InChIKeyGDVOSCWVXNMNSR-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.28
Rot. Bonds3

About 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile

5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile (PubChem CID 130078912) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
PubChem CID130078912
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(CBr)cnc(C(F)F)c1CO
InChIInChI=1S/C9H7BrF2N2O/c10-1-5-3-14-8(9(11)12)7(4-15)6(5)2-13/h3,9,15H,1,4H2
InChIKeyGDVOSCWVXNMNSR-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

5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071152
3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 130076091
5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130078916
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile (CID 130078912) is 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile is N#Cc1c(CBr)cnc(C(F)F)c1CO.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
The InChIKey is GDVOSCWVXNMNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c10-1-5-3-14-8(9(11)12)7(4-15)6(5)2-13/h3,9,15H,1,4H2.
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-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 5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130078912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).