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

C9H7ClF2N2O — CID 130079090

IUPAC3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(CO)c1CCl
InChIInChI=1S/C9H7ClF2N2O/c10-1-5-7(4-15)6(9(11)12)3-14-8(5)2-13/h3,9,15H,1,4H2
InChIKeyCUXDVLHGXFIENR-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.12
Rot. Bonds3

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

3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130079090) has the molecular formula C9H7ClF2N2O and a molecular weight of 232.62 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130079090
Molecular FormulaC9H7ClF2N2O
Molecular Weight232.62 g/mol
Exact Mass232.02
IUPAC Name3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(CO)c1CCl
InChIInChI=1S/C9H7ClF2N2O/c10-1-5-7(4-15)6(9(11)12)3-14-8(5)2-13/h3,9,15H,1,4H2
InChIKeyCUXDVLHGXFIENR-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'}

Analyze 3-(chloromethyl)-5-(difluoromethyl)-4-(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

ethyl 2-[3-(chloromethyl)-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 133106105
methyl 4-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133106381
3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130095942
5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103592
5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130108860
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130090443
2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile (CID 130079090) is 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(CO)c1CCl.
What is the InChIKey of 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is CUXDVLHGXFIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O/c10-1-5-7(4-15)6(9(11)12)3-14-8(5)2-13/h3,9,15H,1,4H2.
What are the key properties of 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile?
3-(chloromethyl)-5-(difluoromethyl)-4-(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 3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130079090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).