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

C11H12ClF3N2O — CID 55064792

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H12ClF3N2O/c12-9-3-8(11(13,14)15)4-16-10(9)17-2-1-7(5-17)6-18/h3-4,7,18H,1-2,5-6H2
InChIKeyLDDMOZQHOGVMNG-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.57
Rot. Bonds2

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

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 55064792) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID55064792
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H12ClF3N2O/c12-9-3-8(11(13,14)15)4-16-10(9)17-2-1-7(5-17)6-18/h3-4,7,18H,1-2,5-6H2
InChIKeyLDDMOZQHOGVMNG-UHFFFAOYSA-N
XLogP2.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
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-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663830
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354160
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994305
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552
[(3R,4R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70768899
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
CID 136531929

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 55064792) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol is OCC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is LDDMOZQHOGVMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-9-3-8(11(13,14)15)4-16-10(9)17-2-1-7(5-17)6-18/h3-4,7,18H,1-2,5-6H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 280.68 g/mol, XLogP of 2.57, 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]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 55064792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).