5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile

C8H5F2IN2O — CID 130077171

IUPAC5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
SMILESCOc1c(C#N)cnc(I)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c1-14-6-4(2-12)3-13-8(11)5(6)7(9)10/h3,7H,1H3
InChIKeyUENSVHUHMKYNLS-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.50
Rot. Bonds2

About 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile

5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile (PubChem CID 130077171) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
PubChem CID130077171
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
SMILESCOc1c(C#N)cnc(I)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c1-14-6-4(2-12)3-13-8(11)5(6)7(9)10/h3,7H,1H3
InChIKeyUENSVHUHMKYNLS-UHFFFAOYSA-N
XLogP2.50
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 52.50
H-Bond Donors ≤ 50
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

3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carbonitrile
CID 119008821
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 131454528
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
methyl 5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130077669
4-methoxy-5,6-dimethylpyridine-3-carbonitrile
CID 163496494
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile (CID 130077171) is 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile is COc1c(C#N)cnc(I)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile?
The InChIKey is UENSVHUHMKYNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c1-14-6-4(2-12)3-13-8(11)5(6)7(9)10/h3,7H,1H3.
What are the key properties of 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile?
5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile has a molecular weight of 310.04 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130077171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).