(3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol

C13H12ClFN2O — CID 118740655

IUPAC(3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc3c(Cl)ccnc3c2F)C1
InChIInChI=1S/C13H12ClFN2O/c14-10-3-5-16-13-9(10)1-2-11(12(13)15)17-6-4-8(18)7-17/h1-3,5,8,18H,4,6-7H2/t8-/m1/s1
InChIKeyUKMMPQJGCCOEBW-MRVPVSSYSA-N
MW266.70 g/mol
LogP2.60
Rot. Bonds1

About (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol

(3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol (PubChem CID 118740655) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol
PubChem CID118740655
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc3c(Cl)ccnc3c2F)C1
InChIInChI=1S/C13H12ClFN2O/c14-10-3-5-16-13-9(10)1-2-11(12(13)15)17-6-4-8(18)7-17/h1-3,5,8,18H,4,6-7H2/t8-/m1/s1
InChIKeyUKMMPQJGCCOEBW-MRVPVSSYSA-N
XLogP2.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol (CID 118740655) is (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol is O[C@@H]1CCN(c2ccc3c(Cl)ccnc3c2F)C1.
What is the InChIKey of (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol?
The InChIKey is UKMMPQJGCCOEBW-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-10-3-5-16-13-9(10)1-2-11(12(13)15)17-6-4-8(18)7-17/h1-3,5,8,18H,4,6-7H2/t8-/m1/s1.
What are the key properties of (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol?
(3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol has a molecular weight of 266.70 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chloro-8-fluoroquinolin-7-yl)pyrrolidin-3-ol is sourced from PubChem (CID 118740655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).