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

C8H5F2IN2 — CID 130077212

IUPAC4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
SMILESCc1c(I)ncc(C#N)c1C(F)F
InChIInChI=1S/C8H5F2IN2/c1-4-6(7(9)10)5(2-12)3-13-8(4)11/h3,7H,1H3
InChIKeyZNHFXLGJOAOBLF-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.80
Rot. Bonds1

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

4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile (PubChem CID 130077212) has the molecular formula C8H5F2IN2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
PubChem CID130077212
Molecular FormulaC8H5F2IN2
Molecular Weight294.04 g/mol
Exact Mass293.95
IUPAC Name4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
SMILESCc1c(I)ncc(C#N)c1C(F)F
InChIInChI=1S/C8H5F2IN2/c1-4-6(7(9)10)5(2-12)3-13-8(4)11/h3,7H,1H3
InChIKeyZNHFXLGJOAOBLF-UHFFFAOYSA-N
XLogP2.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
CID 130077171
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118850677
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 130078238
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile (CID 130077212) is 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile is Cc1c(I)ncc(C#N)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile?
The InChIKey is ZNHFXLGJOAOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2/c1-4-6(7(9)10)5(2-12)3-13-8(4)11/h3,7H,1H3.
What are the key properties of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile?
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile has a molecular weight of 294.04 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130077212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).