4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid

C8H3F2IN2O2 — CID 118849836

IUPAC4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)cnc(C(F)F)c1I
InChIInChI=1S/C8H3F2IN2O2/c9-7(10)6-5(11)3(1-12)4(2-13-6)8(14)15/h2,7H,(H,14,15)
InChIKeyIXBBRVCCMDSSNO-UHFFFAOYSA-N
MW324.02 g/mol
LogP2.19
Rot. Bonds2

About 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid

4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (PubChem CID 118849836) has the molecular formula C8H3F2IN2O2 and a molecular weight of 324.02 g/mol. Its IUPAC name is 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
PubChem CID118849836
Molecular FormulaC8H3F2IN2O2
Molecular Weight324.02 g/mol
Exact Mass323.92
IUPAC Name4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)cnc(C(F)F)c1I
InChIInChI=1S/C8H3F2IN2O2/c9-7(10)6-5(11)3(1-12)4(2-13-6)8(14)15/h2,7H,(H,14,15)
InChIKeyIXBBRVCCMDSSNO-UHFFFAOYSA-N
XLogP2.19
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.02
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109044
5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134685688
methyl 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130077654
6-bromo-5-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118998250
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
CID 118854435

Frequently Asked Questions

What is the IUPAC name of 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The IUPAC name of 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (CID 118849836) is 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The canonical SMILES for 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is N#Cc1c(C(=O)O)cnc(C(F)F)c1I.
What is the InChIKey of 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The InChIKey is IXBBRVCCMDSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2IN2O2/c9-7(10)6-5(11)3(1-12)4(2-13-6)8(14)15/h2,7H,(H,14,15).
What are the key properties of 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid has a molecular weight of 324.02 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 118849836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).