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

C9H4F2IN3 — CID 130077459

IUPAC5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
SMILESN#CCc1cnc(C#N)c(I)c1C(F)F
InChIInChI=1S/C9H4F2IN3/c10-9(11)7-5(1-2-13)4-15-6(3-14)8(7)12/h4,9H,1H2
InChIKeyRFXJQXAYOYVEPL-UHFFFAOYSA-N
MW319.05 g/mol
LogP2.56
Rot. Bonds2

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

5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile (PubChem CID 130077459) has the molecular formula C9H4F2IN3 and a molecular weight of 319.05 g/mol. Its IUPAC name is 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
PubChem CID130077459
Molecular FormulaC9H4F2IN3
Molecular Weight319.05 g/mol
Exact Mass318.94
IUPAC Name5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
SMILESN#CCc1cnc(C#N)c(I)c1C(F)F
InChIInChI=1S/C9H4F2IN3/c10-9(11)7-5(1-2-13)4-15-6(3-14)8(7)12/h4,9H,1H2
InChIKeyRFXJQXAYOYVEPL-UHFFFAOYSA-N
XLogP2.56
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.05
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247
5-(bromomethyl)-4-(cyanomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130078881
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
6-cyano-4-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118995518
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile?
The IUPAC name of 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile (CID 130077459) is 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile.
What is the SMILES notation for 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile?
The canonical SMILES for 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile is N#CCc1cnc(C#N)c(I)c1C(F)F.
What is the InChIKey of 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile?
The InChIKey is RFXJQXAYOYVEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2IN3/c10-9(11)7-5(1-2-13)4-15-6(3-14)8(7)12/h4,9H,1H2.
What are the key properties of 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile?
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile has a molecular weight of 319.05 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130077459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).