(2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate

C15H20N2O3 — CID 139177904

IUPAC(2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate
SMILESC[C@](O)(C[C@@](C)(O)c1ccccn1)c1ccccn1.O
InChIInChI=1S/C15H18N2O2.H2O/c1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h3-10,18-19H,11H2,1-2H3;1H2/t14-,15+;
InChIKeyAWHVMJHRAQURCA-KBGJBQQCSA-N
MW276.34 g/mol
LogP1.16
Rot. Bonds4

About (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate

(2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate (PubChem CID 139177904) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate.

Molecular Properties

Compound Name(2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate
PubChem CID139177904
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate
SMILESC[C@](O)(C[C@@](C)(O)c1ccccn1)c1ccccn1.O
InChIInChI=1S/C15H18N2O2.H2O/c1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h3-10,18-19H,11H2,1-2H3;1H2/t14-,15+;
InChIKeyAWHVMJHRAQURCA-KBGJBQQCSA-N
XLogP1.16
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pirmenol
CID 65502
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
1,2-Dipyridin-2-ylethane-1,2-diol
CID 95513
3-Quinuclidinol, 3-(2-pyridyl)-
CID 208598
2-Phenyl-3-pyridinol
CID 18705
Doxylamine alcohol
CID 86883
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
Phenyl(pyridin-2-yl)methanol
CID 315585
Pirmenol Hydrochloride
CID 65501

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate?
The IUPAC name of (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate (CID 139177904) is (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate.
What is the SMILES notation for (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate?
The canonical SMILES for (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate is C[C@](O)(C[C@@](C)(O)c1ccccn1)c1ccccn1.O.
What is the InChIKey of (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate?
The InChIKey is AWHVMJHRAQURCA-KBGJBQQCSA-N. The full InChI is InChI=1S/C15H18N2O2.H2O/c1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h3-10,18-19H,11H2,1-2H3;1H2/t14-,15+;.
What are the key properties of (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate?
(2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate has a molecular weight of 276.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diol;hydrate is sourced from PubChem (CID 139177904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).