4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

C7H2BrF3N2O2 — CID 118799979

IUPAC4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(OC(F)(F)F)c1Br
InChIInChI=1S/C7H2BrF3N2O2/c8-4-3(1-12)2-13-6(14)5(4)15-7(9,10)11/h2H,(H,13,14)
InChIKeyPAIFRBFPBJAMQB-UHFFFAOYSA-N
MW283.00 g/mol
LogP1.91
Rot. Bonds1

About 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (PubChem CID 118799979) has the molecular formula C7H2BrF3N2O2 and a molecular weight of 283.00 g/mol. Its IUPAC name is 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
PubChem CID118799979
Molecular FormulaC7H2BrF3N2O2
Molecular Weight283.00 g/mol
Exact Mass281.93
IUPAC Name4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(OC(F)(F)F)c1Br
InChIInChI=1S/C7H2BrF3N2O2/c8-4-3(1-12)2-13-6(14)5(4)15-7(9,10)11/h2H,(H,13,14)
InChIKeyPAIFRBFPBJAMQB-UHFFFAOYSA-N
XLogP1.91
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.00
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
CID 118025202
4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 118806028
4-Bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118806030
4-Bromo-5-(difluoromethyl)-3-methoxypyridin-2-ol
CID 118811677
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
CID 118817518
4-Cyano-5-(difluoromethyl)-2-hydroxy-3-(trifluoromethoxy)pyridine
CID 118833220
2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile
CID 118849895
2-Bromo-6-hydroxy-5-(trifluoromethoxy)nicotinonitrile
CID 119007286
4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile
CID 130076455
5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carbonitrile
CID 130076468
2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 130091818
6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
CID 130091819

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (CID 118799979) is 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)c(OC(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The InChIKey is PAIFRBFPBJAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2O2/c8-4-3(1-12)2-13-6(14)5(4)15-7(9,10)11/h2H,(H,13,14).
What are the key properties of 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile has a molecular weight of 283.00 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 118799979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).