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

C7HBrF3IN2O — CID 119012441

IUPAC6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(I)cc1OC(F)(F)F
InChIInChI=1S/C7HBrF3IN2O/c8-6-3(12)1-5(4(2-13)14-6)15-7(9,10)11/h1H
InChIKeyKXSOVYUKIJQLBW-UHFFFAOYSA-N
MW392.90 g/mol
LogP3.22
Rot. Bonds1

About 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile

6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 119012441) has the molecular formula C7HBrF3IN2O and a molecular weight of 392.90 g/mol. Its IUPAC name is 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID119012441
Molecular FormulaC7HBrF3IN2O
Molecular Weight392.90 g/mol
Exact Mass391.83
IUPAC Name6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(I)cc1OC(F)(F)F
InChIInChI=1S/C7HBrF3IN2O/c8-6-3(12)1-5(4(2-13)14-6)15-7(9,10)11/h1H
InChIKeyKXSOVYUKIJQLBW-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

6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
2-bromo-5-iodo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133094814
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
6-bromo-5-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130909745
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
3-amino-6-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 133095988
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977
6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119013383

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 119012441) is 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(Br)c(I)cc1OC(F)(F)F.
What is the InChIKey of 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is KXSOVYUKIJQLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF3IN2O/c8-6-3(12)1-5(4(2-13)14-6)15-7(9,10)11/h1H.
What are the key properties of 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-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 6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 119012441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).