2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine

C9H9ClF3N — CID 158338900

IUPAC2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine
SMILESCCC=C1C=CC(C(F)(F)F)=NC1Cl
InChIInChI=1S/C9H9ClF3N/c1-2-3-6-4-5-7(9(11,12)13)14-8(6)10/h3-5,8H,2H2,1H3
InChIKeyGQXOLRKOIODYDU-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.46
Rot. Bonds1

About 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine

2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine (PubChem CID 158338900) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine
PubChem CID158338900
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine
SMILESCCC=C1C=CC(C(F)(F)F)=NC1Cl
InChIInChI=1S/C9H9ClF3N/c1-2-3-6-4-5-7(9(11,12)13)14-8(6)10/h3-5,8H,2H2,1H3
InChIKeyGQXOLRKOIODYDU-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-[(1E,3Z)-2-chloropenta-1,3-dienyl]-4-(difluoromethyl)-2,5-dimethyl-2H-pyrrole
CID 137517764
(6E)-6-(1-chloropropylidene)-3-(1,1-difluoroethyl)-N-methylcyclohexa-2,4-dien-1-imine
CID 142290673
7-(chloromethyl)-3-ethyl-2H-azepine
CID 90971402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine (CID 158338900) is 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine is CCC=C1C=CC(C(F)(F)F)=NC1Cl.
What is the InChIKey of 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine?
The InChIKey is GQXOLRKOIODYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-2-3-6-4-5-7(9(11,12)13)14-8(6)10/h3-5,8H,2H2,1H3.
What are the key properties of 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine?
2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine has a molecular weight of 223.63 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propylidene-6-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 158338900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).