1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one

C13H14ClF3N2O — CID 67953081

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O/c1-7(2)10-3-4-11(20)19(10)12-9(14)5-8(6-18-12)13(15,16)17/h5-7,10H,3-4H2,1-2H3
InChIKeyLCCOGQHRWOTPBG-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.91
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 67953081) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID67953081
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O/c1-7(2)10-3-4-11(20)19(10)12-9(14)5-8(6-18-12)13(15,16)17/h5-7,10H,3-4H2,1-2H3
InChIKeyLCCOGQHRWOTPBG-UHFFFAOYSA-N
XLogP3.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949
(1S,5R)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-one
CID 125116837
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 51153994
5-tert-butyl-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 43348631
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430660
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770283
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 60641606

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one (CID 67953081) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one is CC(C)C1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is LCCOGQHRWOTPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c1-7(2)10-3-4-11(20)19(10)12-9(14)5-8(6-18-12)13(15,16)17/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 306.72 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 67953081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).