2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine

C12H10F3N — CID 133080561

IUPAC2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CC2=CC=CC2)nc1
InChIInChI=1S/C12H10F3N/c13-12(14,15)10-5-6-11(16-8-10)7-9-3-1-2-4-9/h1-3,5-6,8H,4,7H2
InChIKeyVQQSJRZTSZQYBS-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.53
Rot. Bonds2

About 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine

2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine (PubChem CID 133080561) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine
PubChem CID133080561
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CC2=CC=CC2)nc1
InChIInChI=1S/C12H10F3N/c13-12(14,15)10-5-6-11(16-8-10)7-9-3-1-2-4-9/h1-3,5-6,8H,4,7H2
InChIKeyVQQSJRZTSZQYBS-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine (CID 133080561) is 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CC2=CC=CC2)nc1.
What is the InChIKey of 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is VQQSJRZTSZQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c13-12(14,15)10-5-6-11(16-8-10)7-9-3-1-2-4-9/h1-3,5-6,8H,4,7H2.
What are the key properties of 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine?
2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 225.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133080561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).