1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine

C9H10F3N — CID 123548735

IUPAC1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine
SMILESC=C1C=CC(C(F)(F)F)=CN1CC
InChIInChI=1S/C9H10F3N/c1-3-13-6-8(9(10,11)12)5-4-7(13)2/h4-6H,2-3H2,1H3
InChIKeyDBOBDIHJNDWFKC-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.84
Rot. Bonds1

About 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine

1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine (PubChem CID 123548735) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine
PubChem CID123548735
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine
SMILESC=C1C=CC(C(F)(F)F)=CN1CC
InChIInChI=1S/C9H10F3N/c1-3-13-6-8(9(10,11)12)5-4-7(13)2/h4-6H,2-3H2,1H3
InChIKeyDBOBDIHJNDWFKC-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine?
The IUPAC name of 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine (CID 123548735) is 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine?
The canonical SMILES for 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine is C=C1C=CC(C(F)(F)F)=CN1CC.
What is the InChIKey of 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine?
The InChIKey is DBOBDIHJNDWFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-3-13-6-8(9(10,11)12)5-4-7(13)2/h4-6H,2-3H2,1H3.
What are the key properties of 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine?
1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine has a molecular weight of 189.18 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylidene-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 123548735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).