1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C10H10ClF3N2O — CID 53408254

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-15-9(8)16-2-1-7(17)5-16/h3-4,7,17H,1-2,5H2
InChIKeyLCTHUZSMYUAYEC-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.32
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 53408254) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID53408254
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-15-9(8)16-2-1-7(17)5-16/h3-4,7,17H,1-2,5H2
InChIKeyLCTHUZSMYUAYEC-UHFFFAOYSA-N
XLogP2.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 53408254) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is OC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is LCTHUZSMYUAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-15-9(8)16-2-1-7(17)5-16/h3-4,7,17H,1-2,5H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 266.65 g/mol, XLogP of 2.32, 1 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]pyrrolidin-3-ol is sourced from PubChem (CID 53408254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).