6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide

C8H4F2IN3O — CID 119006178

IUPAC6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide
SMILESN#Cc1nc(I)c(C(N)=O)cc1C(F)F
InChIInChI=1S/C8H4F2IN3O/c9-6(10)3-1-4(8(13)15)7(11)14-5(3)2-12/h1,6H,(H2,13,15)
InChIKeyZEWLRZHCSGMMGG-UHFFFAOYSA-N
MW323.04 g/mol
LogP1.59
Rot. Bonds2

About 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide

6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide (PubChem CID 119006178) has the molecular formula C8H4F2IN3O and a molecular weight of 323.04 g/mol. Its IUPAC name is 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide
PubChem CID119006178
Molecular FormulaC8H4F2IN3O
Molecular Weight323.04 g/mol
Exact Mass322.94
IUPAC Name6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide
SMILESN#Cc1nc(I)c(C(N)=O)cc1C(F)F
InChIInChI=1S/C8H4F2IN3O/c9-6(10)3-1-4(8(13)15)7(11)14-5(3)2-12/h1,6H,(H2,13,15)
InChIKeyZEWLRZHCSGMMGG-UHFFFAOYSA-N
XLogP1.59
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.04
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549
methyl 2-bromo-6-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 130109076
6-cyano-4-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118995518
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675477
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796

Frequently Asked Questions

What is the IUPAC name of 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide?
The IUPAC name of 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide (CID 119006178) is 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide?
The canonical SMILES for 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide is N#Cc1nc(I)c(C(N)=O)cc1C(F)F.
What is the InChIKey of 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide?
The InChIKey is ZEWLRZHCSGMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2IN3O/c9-6(10)3-1-4(8(13)15)7(11)14-5(3)2-12/h1,6H,(H2,13,15).
What are the key properties of 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide?
6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide has a molecular weight of 323.04 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide is sourced from PubChem (CID 119006178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).