4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile

C8H5F2IN2O — CID 118995379

IUPAC4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(I)c(C#N)n1
InChIInChI=1S/C8H5F2IN2O/c1-14-6-2-4(8(9)10)7(11)5(3-12)13-6/h2,8H,1H3
InChIKeyQOPHURGQDPSAPS-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.50
Rot. Bonds2

About 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile

4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile (PubChem CID 118995379) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
PubChem CID118995379
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(I)c(C#N)n1
InChIInChI=1S/C8H5F2IN2O/c1-14-6-2-4(8(9)10)7(11)5(3-12)13-6/h2,8H,1H3
InChIKeyQOPHURGQDPSAPS-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236
4-(difluoromethyl)-2-iodo-6-methoxypyridin-3-ol
CID 118852158
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134676477
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793
4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
CID 118851689

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile (CID 118995379) is 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile is COc1cc(C(F)F)c(I)c(C#N)n1.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile?
The InChIKey is QOPHURGQDPSAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c1-14-6-2-4(8(9)10)7(11)5(3-12)13-6/h2,8H,1H3.
What are the key properties of 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile?
4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-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 4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 118995379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).