6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile

C7H2BrF2IN2 — CID 119008379

IUPAC6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(Br)nc1C(F)F
InChIInChI=1S/C7H2BrF2IN2/c8-6-4(11)1-3(2-12)5(13-6)7(9)10/h1,7H
InChIKeyFYPXYIFVVVAPIO-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.26
Rot. Bonds1

About 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile

6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile (PubChem CID 119008379) has the molecular formula C7H2BrF2IN2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
PubChem CID119008379
Molecular FormulaC7H2BrF2IN2
Molecular Weight358.91 g/mol
Exact Mass357.84
IUPAC Name6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(Br)nc1C(F)F
InChIInChI=1S/C7H2BrF2IN2/c8-6-4(11)1-3(2-12)5(13-6)7(9)10/h1,7H
InChIKeyFYPXYIFVVVAPIO-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-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
6-bromo-2-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108627
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The IUPAC name of 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile (CID 119008379) is 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile is N#Cc1cc(I)c(Br)nc1C(F)F.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The InChIKey is FYPXYIFVVVAPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2IN2/c8-6-4(11)1-3(2-12)5(13-6)7(9)10/h1,7H.
What are the key properties of 6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
6-bromo-2-(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-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile is sourced from PubChem (CID 119008379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).