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

C7H2BrF2IN2 — CID 118817239

IUPAC4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(I)nc1C(F)F
InChIInChI=1S/C7H2BrF2IN2/c8-4-1-5(11)13-6(7(9)10)3(4)2-12/h1,7H
InChIKeyCOBQJBIZLQSCRI-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.26
Rot. Bonds1

About 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile

4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile (PubChem CID 118817239) has the molecular formula C7H2BrF2IN2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
PubChem CID118817239
Molecular FormulaC7H2BrF2IN2
Molecular Weight358.91 g/mol
Exact Mass357.84
IUPAC Name4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(I)nc1C(F)F
InChIInChI=1S/C7H2BrF2IN2/c8-4-1-5(11)13-6(7(9)10)3(4)2-12/h1,7H
InChIKeyCOBQJBIZLQSCRI-UHFFFAOYSA-N
XLogP3.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.26
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-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 118811585
6-bromo-2-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108627
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
CID 118850770
methyl 2-[3-cyano-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134686464
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118822684
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile
CID 118837224

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
The IUPAC name of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile (CID 118817239) is 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile is N#Cc1c(Br)cc(I)nc1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
The InChIKey is COBQJBIZLQSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2IN2/c8-4-1-5(11)13-6(7(9)10)3(4)2-12/h1,7H.
What are the key properties of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile has a molecular weight of 358.91 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile is sourced from PubChem (CID 118817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).