4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile

C9H5ClF2N2O — CID 130079154

IUPAC4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(C=O)c1CCl
InChIInChI=1S/C9H5ClF2N2O/c10-1-6-5(4-15)3-14-8(9(11)12)7(6)2-13/h3-4,9H,1H2
InChIKeyATVBRKAMWQGDGU-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.44
Rot. Bonds3

About 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile

4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile (PubChem CID 130079154) has the molecular formula C9H5ClF2N2O and a molecular weight of 230.60 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
PubChem CID130079154
Molecular FormulaC9H5ClF2N2O
Molecular Weight230.60 g/mol
Exact Mass230.01
IUPAC Name4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(C=O)c1CCl
InChIInChI=1S/C9H5ClF2N2O/c10-1-6-5(4-15)3-14-8(9(11)12)7(6)2-13/h3-4,9H,1H2
InChIKeyATVBRKAMWQGDGU-UHFFFAOYSA-N
XLogP2.44
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-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

3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
CID 118800032
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207
4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
CID 130076160
2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
CID 130078361
2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076837
5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106126
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542
2-(difluoromethyl)-4-formyl-5-nitropyridine-3-carbonitrile
CID 130078736
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
The IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile (CID 130079154) is 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
The canonical SMILES for 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile is N#Cc1c(C(F)F)ncc(C=O)c1CCl.
What is the InChIKey of 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
The InChIKey is ATVBRKAMWQGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O/c10-1-6-5(4-15)3-14-8(9(11)12)7(6)2-13/h3-4,9H,1H2.
What are the key properties of 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile has a molecular weight of 230.60 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile is sourced from PubChem (CID 130079154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).