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

C7H2BrF2IN2 — CID 130108625

IUPAC6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(I)c1C(F)F
InChIInChI=1S/C7H2BrF2IN2/c8-6-5(11)4(7(9)10)3(1-12)2-13-6/h2,7H
InChIKeyXSEWTMCUMXWQIX-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.26
Rot. Bonds1

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

6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile (PubChem CID 130108625) has the molecular formula C7H2BrF2IN2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
PubChem CID130108625
Molecular FormulaC7H2BrF2IN2
Molecular Weight358.91 g/mol
Exact Mass357.84
IUPAC Name6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(I)c1C(F)F
InChIInChI=1S/C7H2BrF2IN2/c8-6-5(11)4(7(9)10)3(1-12)2-13-6/h2,7H
InChIKeyXSEWTMCUMXWQIX-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

6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108642
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carbonitrile
CID 119008821
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
[6-bromo-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118999574
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 134664572
2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
CID 119010566

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile (CID 130108625) is 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile is N#Cc1cnc(Br)c(I)c1C(F)F.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The InChIKey is XSEWTMCUMXWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2IN2/c8-6-5(11)4(7(9)10)3(1-12)2-13-6/h2,7H.
What are the key properties of 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
6-bromo-4-(difluoromethyl)-5-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 6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130108625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).