3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine

C11H13ClF3N — CID 138603693

IUPAC3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
SMILESCCC(CC)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N/c1-3-7(4-2)10-9(12)5-8(6-16-10)11(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyDAACEBATPXCUPF-UHFFFAOYSA-N
MW251.68 g/mol
LogP4.66
Rot. Bonds3

About 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine

3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine (PubChem CID 138603693) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
PubChem CID138603693
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
SMILESCCC(CC)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N/c1-3-7(4-2)10-9(12)5-8(6-16-10)11(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyDAACEBATPXCUPF-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
CID 66798194
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
CID 63198526
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
CID 23078241
3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine (CID 138603693) is 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine is CCC(CC)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine?
The InChIKey is DAACEBATPXCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-3-7(4-2)10-9(12)5-8(6-16-10)11(13,14)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine?
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine has a molecular weight of 251.68 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 138603693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).