3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine

C11H7F5N2 — CID 59826881

IUPAC3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine
SMILESC=C1CN=C(c2cccnc2C(F)(F)F)C1(F)F
InChIInChI=1S/C11H7F5N2/c1-6-5-18-8(10(6,12)13)7-3-2-4-17-9(7)11(14,15)16/h2-4H,1,5H2
InChIKeyAVEHZZXWJDJJPD-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.09
Rot. Bonds1

About 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine

3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine (PubChem CID 59826881) has the molecular formula C11H7F5N2 and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine
PubChem CID59826881
Molecular FormulaC11H7F5N2
Molecular Weight262.18 g/mol
Exact Mass262.05
IUPAC Name3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine
SMILESC=C1CN=C(c2cccnc2C(F)(F)F)C1(F)F
InChIInChI=1S/C11H7F5N2/c1-6-5-18-8(10(6,12)13)7-3-2-4-17-9(7)11(14,15)16/h2-4H,1,5H2
InChIKeyAVEHZZXWJDJJPD-UHFFFAOYSA-N
XLogP3.09
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine (CID 59826881) is 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine is C=C1CN=C(c2cccnc2C(F)(F)F)C1(F)F.
What is the InChIKey of 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is AVEHZZXWJDJJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2/c1-6-5-18-8(10(6,12)13)7-3-2-4-17-9(7)11(14,15)16/h2-4H,1,5H2.
What are the key properties of 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine?
3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 262.18 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 59826881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).