5-(difluoromethyl)-6-iodopyridine-2-carbonitrile

C7H3F2IN2 — CID 130095798

IUPAC5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
SMILESN#Cc1ccc(C(F)F)c(I)n1
InChIInChI=1S/C7H3F2IN2/c8-6(9)5-2-1-4(3-11)12-7(5)10/h1-2,6H
InChIKeyKSATUPLKRHJJFZ-UHFFFAOYSA-N
MW280.02 g/mol
LogP2.50
Rot. Bonds1

About 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile

5-(difluoromethyl)-6-iodopyridine-2-carbonitrile (PubChem CID 130095798) has the molecular formula C7H3F2IN2 and a molecular weight of 280.02 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
PubChem CID130095798
Molecular FormulaC7H3F2IN2
Molecular Weight280.02 g/mol
Exact Mass279.93
IUPAC Name5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
SMILESN#Cc1ccc(C(F)F)c(I)n1
InChIInChI=1S/C7H3F2IN2/c8-6(9)5-2-1-4(3-11)12-7(5)10/h1-2,6H
InChIKeyKSATUPLKRHJJFZ-UHFFFAOYSA-N
XLogP2.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.02
LogP ≤ 52.50
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

6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130070992
3-(difluoromethyl)-6-fluoro-2-iodopyridine
CID 130096186
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130095837
6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130095815
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile (CID 130095798) is 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile is N#Cc1ccc(C(F)F)c(I)n1.
What is the InChIKey of 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The InChIKey is KSATUPLKRHJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2/c8-6(9)5-2-1-4(3-11)12-7(5)10/h1-2,6H.
What are the key properties of 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
5-(difluoromethyl)-6-iodopyridine-2-carbonitrile has a molecular weight of 280.02 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130095798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).