2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine

C11H13ClF3N — CID 66330085

IUPAC2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine
SMILESCCC(c1cc(C(F)(F)F)ccn1)C(C)Cl
InChIInChI=1S/C11H13ClF3N/c1-3-9(7(2)12)10-6-8(4-5-16-10)11(13,14)15/h4-7,9H,3H2,1-2H3
InChIKeySUAATCPRAUYWEH-UHFFFAOYSA-N
MW251.68 g/mol
LogP4.22
Rot. Bonds3

About 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine

2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine (PubChem CID 66330085) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine
PubChem CID66330085
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine
SMILESCCC(c1cc(C(F)(F)F)ccn1)C(C)Cl
InChIInChI=1S/C11H13ClF3N/c1-3-9(7(2)12)10-6-8(4-5-16-10)11(13,14)15/h4-7,9H,3H2,1-2H3
InChIKeySUAATCPRAUYWEH-UHFFFAOYSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine
CID 66330684
(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
CID 118990673
2-(2-chloropentan-3-yl)-6-(trifluoromethyl)pyridine
CID 63203059
2-(2-chloropentan-3-yl)pyrazine
CID 63203167
2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine
CID 170081104
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 153329889
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 66328316
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 145124563

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine (CID 66330085) is 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine is CCC(c1cc(C(F)(F)F)ccn1)C(C)Cl.
What is the InChIKey of 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is SUAATCPRAUYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-3-9(7(2)12)10-6-8(4-5-16-10)11(13,14)15/h4-7,9H,3H2,1-2H3.
What are the key properties of 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine?
2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 251.68 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 66330085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).