5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C10H6BrF3N2O — CID 30772099

IUPAC5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c(Br)c(C2CC2)[nH]c1=O
InChIInChI=1S/C10H6BrF3N2O/c11-7-6(10(12,13)14)5(3-15)9(17)16-8(7)4-1-2-4/h4H,1-2H2,(H,16,17)
InChIKeyPSVDAKTZPYVWBP-UHFFFAOYSA-N
MW307.07 g/mol
LogP2.91
Rot. Bonds1

About 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 30772099) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID30772099
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c(Br)c(C2CC2)[nH]c1=O
InChIInChI=1S/C10H6BrF3N2O/c11-7-6(10(12,13)14)5(3-15)9(17)16-8(7)4-1-2-4/h4H,1-2H2,(H,16,17)
InChIKeyPSVDAKTZPYVWBP-UHFFFAOYSA-N
XLogP2.91
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 30772099) is 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)c(Br)c(C2CC2)[nH]c1=O.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is PSVDAKTZPYVWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-7-6(10(12,13)14)5(3-15)9(17)16-8(7)4-1-2-4/h4H,1-2H2,(H,16,17).
What are the key properties of 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 307.07 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 30772099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).