4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile

C7H2F2I2N2 — CID 130100457

IUPAC4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(I)c1C(F)F
InChIInChI=1S/C7H2F2I2N2/c8-6(9)5-3(1-12)7(11)13-2-4(5)10/h2,6H
InChIKeyVLHDFHBSTJHRBJ-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.10
Rot. Bonds1

About 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile

4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile (PubChem CID 130100457) has the molecular formula C7H2F2I2N2 and a molecular weight of 405.91 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
PubChem CID130100457
Molecular FormulaC7H2F2I2N2
Molecular Weight405.91 g/mol
Exact Mass405.83
IUPAC Name4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(I)c1C(F)F
InChIInChI=1S/C7H2F2I2N2/c8-6(9)5-3(1-12)7(11)13-2-4(5)10/h2,6H
InChIKeyVLHDFHBSTJHRBJ-UHFFFAOYSA-N
XLogP3.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.10
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

4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
3-(difluoromethyl)-2-fluoro-5-iodopyridine-4-carbonitrile
CID 118799460
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
2-[4-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 118799469
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile (CID 130100457) is 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile is N#Cc1c(I)ncc(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile?
The InChIKey is VLHDFHBSTJHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F2I2N2/c8-6(9)5-3(1-12)7(11)13-2-4(5)10/h2,6H.
What are the key properties of 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile?
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile has a molecular weight of 405.91 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile is sourced from PubChem (CID 130100457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).