4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile

C7HBrF3IN2O — CID 118804853

IUPAC4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C7HBrF3IN2O/c8-5-3(1-13)6(12)14-2-4(5)15-7(9,10)11/h2H
InChIKeySCONBKOGAJNWLK-UHFFFAOYSA-N
MW392.90 g/mol
LogP3.22
Rot. Bonds1

About 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile

4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 118804853) has the molecular formula C7HBrF3IN2O and a molecular weight of 392.90 g/mol. Its IUPAC name is 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID118804853
Molecular FormulaC7HBrF3IN2O
Molecular Weight392.90 g/mol
Exact Mass391.83
IUPAC Name4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C7HBrF3IN2O/c8-5-3(1-13)6(12)14-2-4(5)15-7(9,10)11/h2H
InChIKeySCONBKOGAJNWLK-UHFFFAOYSA-N
XLogP3.22
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
4-bromo-2-nitro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118810479
4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile
CID 166638347
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 90656956
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667272

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile (CID 118804853) is 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(I)ncc(OC(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is SCONBKOGAJNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF3IN2O/c8-5-3(1-13)6(12)14-2-4(5)15-7(9,10)11/h2H.
What are the key properties of 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 392.90 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 118804853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).