6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride

C8H2ClF2IN2O — CID 134686290

IUPAC6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
SMILESN#Cc1nc(C(F)F)c(C(=O)Cl)cc1I
InChIInChI=1S/C8H2ClF2IN2O/c9-7(15)3-1-4(12)5(2-13)14-6(3)8(10)11/h1,8H
InChIKeyBFSDLSDFUQUHDA-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.87
Rot. Bonds2

About 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride

6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride (PubChem CID 134686290) has the molecular formula C8H2ClF2IN2O and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
PubChem CID134686290
Molecular FormulaC8H2ClF2IN2O
Molecular Weight342.47 g/mol
Exact Mass341.89
IUPAC Name6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
SMILESN#Cc1nc(C(F)F)c(C(=O)Cl)cc1I
InChIInChI=1S/C8H2ClF2IN2O/c9-7(15)3-1-4(12)5(2-13)14-6(3)8(10)11/h1,8H
InChIKeyBFSDLSDFUQUHDA-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'}

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Related Compounds

6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
CID 118849139
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077423
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
2-[6-cyano-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077695
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride?
The IUPAC name of 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride (CID 134686290) is 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride.
What is the SMILES notation for 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride?
The canonical SMILES for 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride is N#Cc1nc(C(F)F)c(C(=O)Cl)cc1I.
What is the InChIKey of 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride?
The InChIKey is BFSDLSDFUQUHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF2IN2O/c9-7(15)3-1-4(12)5(2-13)14-6(3)8(10)11/h1,8H.
What are the key properties of 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride?
6-cyano-2-(difluoromethyl)-5-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 6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride is sourced from PubChem (CID 134686290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).