5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride

C8H2ClF2IN2O — CID 134664572

IUPAC5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
SMILESN#Cc1cnc(C(=O)Cl)c(C(F)F)c1I
InChIInChI=1S/C8H2ClF2IN2O/c9-7(15)6-4(8(10)11)5(12)3(1-13)2-14-6/h2,8H
InChIKeyVPDSCBBTYKDEPO-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.87
Rot. Bonds2

About 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride

5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride (PubChem CID 134664572) has the molecular formula C8H2ClF2IN2O and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
PubChem CID134664572
Molecular FormulaC8H2ClF2IN2O
Molecular Weight342.47 g/mol
Exact Mass341.89
IUPAC Name5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
SMILESN#Cc1cnc(C(=O)Cl)c(C(F)F)c1I
InChIInChI=1S/C8H2ClF2IN2O/c9-7(15)6-4(8(10)11)5(12)3(1-13)2-14-6/h2,8H
InChIKeyVPDSCBBTYKDEPO-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

methyl 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130077669
5-cyano-2-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134664575
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
CID 130100736
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 130105680
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274
5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134685688
5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108642
3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
CID 130100754
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
methyl 5-cyano-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133106377

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
The IUPAC name of 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride (CID 134664572) is 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride.
What is the SMILES notation for 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
The canonical SMILES for 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride is N#Cc1cnc(C(=O)Cl)c(C(F)F)c1I.
What is the InChIKey of 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
The InChIKey is VPDSCBBTYKDEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF2IN2O/c9-7(15)6-4(8(10)11)5(12)3(1-13)2-14-6/h2,8H.
What are the key properties of 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
5-cyano-3-(difluoromethyl)-4-iodopyridine-2-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-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride is sourced from PubChem (CID 134664572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).