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

C7H2BrF2IN2 — CID 130108642

IUPAC5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(Br)c1I
InChIInChI=1S/C7H2BrF2IN2/c8-4-5(11)3(1-12)2-13-6(4)7(9)10/h2,7H
InChIKeyPJMNFFOJGDBWHM-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.26
Rot. Bonds1

About 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile

5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile (PubChem CID 130108642) has the molecular formula C7H2BrF2IN2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
PubChem CID130108642
Molecular FormulaC7H2BrF2IN2
Molecular Weight358.91 g/mol
Exact Mass357.84
IUPAC Name5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(Br)c1I
InChIInChI=1S/C7H2BrF2IN2/c8-4-5(11)3(1-12)2-13-6(4)7(9)10/h2,7H
InChIKeyPJMNFFOJGDBWHM-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
5-cyano-2-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134664575
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbonitrile
CID 118822990
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
ethyl 2-[3-bromo-5-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029566
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile (CID 130108642) is 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile is N#Cc1cnc(C(F)F)c(Br)c1I.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
The InChIKey is PJMNFFOJGDBWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2IN2/c8-4-5(11)3(1-12)2-13-6(4)7(9)10/h2,7H.
What are the key properties of 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
5-bromo-6-(difluoromethyl)-4-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 5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130108642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).