5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride

C8H2ClF2IN2O — CID 134685688

IUPAC5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
SMILESN#Cc1c(C(F)F)ncc(C(=O)Cl)c1I
InChIInChI=1S/C8H2ClF2IN2O/c9-7(15)4-2-14-6(8(10)11)3(1-13)5(4)12/h2,8H
InChIKeyMWNIWQYWHBITCX-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.87
Rot. Bonds2

About 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride

5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride (PubChem CID 134685688) has the molecular formula C8H2ClF2IN2O and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
PubChem CID134685688
Molecular FormulaC8H2ClF2IN2O
Molecular Weight342.47 g/mol
Exact Mass341.89
IUPAC Name5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
SMILESN#Cc1c(C(F)F)ncc(C(=O)Cl)c1I
InChIInChI=1S/C8H2ClF2IN2O/c9-7(15)4-2-14-6(8(10)11)3(1-13)5(4)12/h2,8H
InChIKeyMWNIWQYWHBITCX-UHFFFAOYSA-N
XLogP2.87
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride 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

methyl 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130077654
4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 118849836
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
5-cyano-2-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134664575
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
4-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109044
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride?
The IUPAC name of 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride (CID 134685688) is 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride.
What is the SMILES notation for 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride?
The canonical SMILES for 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride is N#Cc1c(C(F)F)ncc(C(=O)Cl)c1I.
What is the InChIKey of 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride?
The InChIKey is MWNIWQYWHBITCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF2IN2O/c9-7(15)4-2-14-6(8(10)11)3(1-13)5(4)12/h2,8H.
What are the key properties of 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride?
5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride has a molecular weight of 342.47 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride is sourced from PubChem (CID 134685688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).