1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one

C11H10ClF3N2O2 — CID 168663830

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c12-8-2-7(11(13,14)15)3-16-10(8)17-4-6(5-18)1-9(17)19/h2-3,6,18H,1,4-5H2
InChIKeyISTAFLBZUQQVFH-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.10
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663830) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663830
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c12-8-2-7(11(13,14)15)3-16-10(8)17-4-6(5-18)1-9(17)19/h2-3,6,18H,1,4-5H2
InChIKeyISTAFLBZUQQVFH-UHFFFAOYSA-N
XLogP2.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663840
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168700882
(1S,5R)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-one
CID 125116837
[(3R,4R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70768899
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
1-(2,4-dichloro-5-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663323
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663830) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ISTAFLBZUQQVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-8-2-7(11(13,14)15)3-16-10(8)17-4-6(5-18)1-9(17)19/h2-3,6,18H,1,4-5H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 294.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).