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

C9H7BrF2N2O — CID 130078932

IUPAC5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)c(CBr)cc1C(F)F
InChIInChI=1S/C9H7BrF2N2O/c10-2-5-1-6(9(11)12)7(3-13)14-8(5)4-15/h1,9,15H,2,4H2
InChIKeyOLALSLLXRBGCCX-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.28
Rot. Bonds3

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

5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130078932) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130078932
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)c(CBr)cc1C(F)F
InChIInChI=1S/C9H7BrF2N2O/c10-2-5-1-6(9(11)12)7(3-13)14-8(5)4-15/h1,9,15H,2,4H2
InChIKeyOLALSLLXRBGCCX-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
ethyl 3-(bromomethyl)-6-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107669
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
2-[6-bromo-5-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 119005589
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (CID 130078932) is 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1nc(CO)c(CBr)cc1C(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is OLALSLLXRBGCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c10-2-5-1-6(9(11)12)7(3-13)14-8(5)4-15/h1,9,15H,2,4H2.
What are the key properties of 5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-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)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130078932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).