6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile

C9H7ClF2N2O — CID 118809883

IUPAC6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CO)c(CCl)n1
InChIInChI=1S/C9H7ClF2N2O/c10-2-8-7(4-15)6(9(11)12)1-5(3-13)14-8/h1,9,15H,2,4H2
InChIKeyWBOZDBGFFGAVSS-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.12
Rot. Bonds3

About 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile

6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 118809883) has the molecular formula C9H7ClF2N2O and a molecular weight of 232.62 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID118809883
Molecular FormulaC9H7ClF2N2O
Molecular Weight232.62 g/mol
Exact Mass232.02
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CO)c(CCl)n1
InChIInChI=1S/C9H7ClF2N2O/c10-2-8-7(4-15)6(9(11)12)1-5(3-13)14-8/h1,9,15H,2,4H2
InChIKeyWBOZDBGFFGAVSS-UHFFFAOYSA-N
XLogP2.12
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 52.12
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

4-(difluoromethyl)-5-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
CID 130078307
2-(chloromethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118804269
6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118838127
4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439
ethyl 2-(chloromethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 133107022
2-[2-(chloromethyl)-6-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118804263
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090
6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103568
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070605

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile (CID 118809883) is 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)c(CO)c(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is WBOZDBGFFGAVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O/c10-2-8-7(4-15)6(9(11)12)1-5(3-13)14-8/h1,9,15H,2,4H2.
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile?
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile has a molecular weight of 232.62 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118809883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).