3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile

C8H5F2IN2O — CID 118992378

IUPAC3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
SMILESCOc1c(I)cnc(C#N)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c1-14-7-4(11)3-13-5(2-12)6(7)8(9)10/h3,8H,1H3
InChIKeyXQUNXORJMXIKBV-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.50
Rot. Bonds2

About 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile

3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile (PubChem CID 118992378) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
PubChem CID118992378
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
SMILESCOc1c(I)cnc(C#N)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c1-14-7-4(11)3-13-5(2-12)6(7)8(9)10/h3,8H,1H3
InChIKeyXQUNXORJMXIKBV-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'}

Analyze 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
CID 130077171
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile (CID 118992378) is 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile is COc1c(I)cnc(C#N)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile?
The InChIKey is XQUNXORJMXIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c1-14-7-4(11)3-13-5(2-12)6(7)8(9)10/h3,8H,1H3.
What are the key properties of 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile?
3-(difluoromethyl)-5-iodo-4-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 3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 118992378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).