5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile

C7H2F3IN2 — CID 130075927

IUPAC5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(C(F)F)c1F
InChIInChI=1S/C7H2F3IN2/c8-5-3(1-12)7(11)13-2-4(5)6(9)10/h2,6H
InChIKeyCCPRZLRQHNSXND-UHFFFAOYSA-N
MW298.01 g/mol
LogP2.63
Rot. Bonds1

About 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile

5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile (PubChem CID 130075927) has the molecular formula C7H2F3IN2 and a molecular weight of 298.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
PubChem CID130075927
Molecular FormulaC7H2F3IN2
Molecular Weight298.01 g/mol
Exact Mass297.92
IUPAC Name5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(C(F)F)c1F
InChIInChI=1S/C7H2F3IN2/c8-5-3(1-12)7(11)13-2-4(5)6(9)10/h2,6H
InChIKeyCCPRZLRQHNSXND-UHFFFAOYSA-N
XLogP2.63
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 52.63
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-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
CID 130080191
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile (CID 130075927) is 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile is N#Cc1c(I)ncc(C(F)F)c1F.
What is the InChIKey of 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile?
The InChIKey is CCPRZLRQHNSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2/c8-5-3(1-12)7(11)13-2-4(5)6(9)10/h2,6H.
What are the key properties of 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile?
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile has a molecular weight of 298.01 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130075927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).