5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine

C10H4F6N4O — CID 89285441

IUPAC5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine
SMILESO=Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C10H4F6N4O/c11-9(12,13)6-3-7(10(14,15)16)20(18-6)5-1-2-8(19-21)17-4-5/h1-4H
InChIKeyWKFIGDZNLALFMF-UHFFFAOYSA-N
MW310.16 g/mol
LogP3.70
Rot. Bonds2

About 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine

5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine (PubChem CID 89285441) has the molecular formula C10H4F6N4O and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine
PubChem CID89285441
Molecular FormulaC10H4F6N4O
Molecular Weight310.16 g/mol
Exact Mass310.03
IUPAC Name5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine
SMILESO=Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C10H4F6N4O/c11-9(12,13)6-3-7(10(14,15)16)20(18-6)5-1-2-8(19-21)17-4-5/h1-4H
InChIKeyWKFIGDZNLALFMF-UHFFFAOYSA-N
XLogP3.70
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine (CID 89285441) is 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine is O=Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cn1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine?
The InChIKey is WKFIGDZNLALFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N4O/c11-9(12,13)6-3-7(10(14,15)16)20(18-6)5-1-2-8(19-21)17-4-5/h1-4H.
What are the key properties of 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine?
5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine has a molecular weight of 310.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitrosopyridine is sourced from PubChem (CID 89285441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).