6-(difluoromethyl)-2-iodopyridine-3-carbonitrile

C7H3F2IN2 — CID 130095815

IUPAC6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)F)nc1I
InChIInChI=1S/C7H3F2IN2/c8-6(9)5-2-1-4(3-11)7(10)12-5/h1-2,6H
InChIKeyLXNDSIKQCYPLQE-UHFFFAOYSA-N
MW280.02 g/mol
LogP2.50
Rot. Bonds1

About 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile

6-(difluoromethyl)-2-iodopyridine-3-carbonitrile (PubChem CID 130095815) has the molecular formula C7H3F2IN2 and a molecular weight of 280.02 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
PubChem CID130095815
Molecular FormulaC7H3F2IN2
Molecular Weight280.02 g/mol
Exact Mass279.93
IUPAC Name6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)F)nc1I
InChIInChI=1S/C7H3F2IN2/c8-6(9)5-2-1-4(3-11)7(10)12-5/h1-2,6H
InChIKeyLXNDSIKQCYPLQE-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

2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118831350
6-(difluoromethyl)-2-iodo-3-(trifluoromethyl)pyridine
CID 130096769
4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118805015
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130077456
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
CID 118850770
5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130095798
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile (CID 130095815) is 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile is N#Cc1ccc(C(F)F)nc1I.
What is the InChIKey of 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The InChIKey is LXNDSIKQCYPLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2/c8-6(9)5-2-1-4(3-11)7(10)12-5/h1-2,6H.
What are the key properties of 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
6-(difluoromethyl)-2-iodopyridine-3-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 6-(difluoromethyl)-2-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130095815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).