[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol

C13H19ClN2O — CID 83220671

IUPAC[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol
SMILESCCC1CCC(C)N1c1ccc(Cl)c(CO)n1
InChIInChI=1S/C13H19ClN2O/c1-3-10-5-4-9(2)16(10)13-7-6-11(14)12(8-17)15-13/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeyTUARGOZCKRGLHP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.99
Rot. Bonds3

About [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol

[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol (PubChem CID 83220671) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol
PubChem CID83220671
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol
SMILESCCC1CCC(C)N1c1ccc(Cl)c(CO)n1
InChIInChI=1S/C13H19ClN2O/c1-3-10-5-4-9(2)16(10)13-7-6-11(14)12(8-17)15-13/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeyTUARGOZCKRGLHP-UHFFFAOYSA-N
XLogP2.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol (CID 83220671) is [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol is CCC1CCC(C)N1c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol?
The InChIKey is TUARGOZCKRGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-10-5-4-9(2)16(10)13-7-6-11(14)12(8-17)15-13/h6-7,9-10,17H,3-5,8H2,1-2H3.
What are the key properties of [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol?
[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol has a molecular weight of 254.76 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 83220671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).