1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol

C10H13ClN2O2 — CID 62943778

IUPAC1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOCc1nc(N2CCC(O)C2)ccc1Cl
InChIInChI=1S/C10H13ClN2O2/c11-8-1-2-10(12-9(8)6-14)13-4-3-7(15)5-13/h1-2,7,14-15H,3-6H2
InChIKeyWUPZTJPTLCBCCF-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.80
Rot. Bonds2

About 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol

1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 62943778) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID62943778
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOCc1nc(N2CCC(O)C2)ccc1Cl
InChIInChI=1S/C10H13ClN2O2/c11-8-1-2-10(12-9(8)6-14)13-4-3-7(15)5-13/h1-2,7,14-15H,3-6H2
InChIKeyWUPZTJPTLCBCCF-UHFFFAOYSA-N
XLogP0.80
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 62943778) is 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol is OCc1nc(N2CCC(O)C2)ccc1Cl.
What is the InChIKey of 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is WUPZTJPTLCBCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-1-2-10(12-9(8)6-14)13-4-3-7(15)5-13/h1-2,7,14-15H,3-6H2.
What are the key properties of 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol?
1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 228.68 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).