1,3-dipyridin-4-ylpropane-1,3-diol

C13H14N2O2 — CID 153433085

IUPAC1,3-dipyridin-4-ylpropane-1,3-diol
SMILESOC(CC(O)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H14N2O2/c16-12(10-1-5-14-6-2-10)9-13(17)11-3-7-15-8-4-11/h1-8,12-13,16-17H,9H2
InChIKeyYZRSBPROQBJWIF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.63
Rot. Bonds4

About 1,3-dipyridin-4-ylpropane-1,3-diol

1,3-dipyridin-4-ylpropane-1,3-diol (PubChem CID 153433085) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,3-dipyridin-4-ylpropane-1,3-diol.

Molecular Properties

Compound Name1,3-dipyridin-4-ylpropane-1,3-diol
PubChem CID153433085
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1,3-dipyridin-4-ylpropane-1,3-diol
SMILESOC(CC(O)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H14N2O2/c16-12(10-1-5-14-6-2-10)9-13(17)11-3-7-15-8-4-11/h1-8,12-13,16-17H,9H2
InChIKeyYZRSBPROQBJWIF-UHFFFAOYSA-N
XLogP1.63
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yltridecan-1-ol
CID 63410309
(1R)-2-nitro-1-pyridin-4-ylethanol
CID 709368
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol
CID 59574538
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
2-(2-aminoethylamino)-1-pyridin-4-ylethanol
CID 21482923
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094

Frequently Asked Questions

What is the IUPAC name of 1,3-dipyridin-4-ylpropane-1,3-diol?
The IUPAC name of 1,3-dipyridin-4-ylpropane-1,3-diol (CID 153433085) is 1,3-dipyridin-4-ylpropane-1,3-diol.
What is the SMILES notation for 1,3-dipyridin-4-ylpropane-1,3-diol?
The canonical SMILES for 1,3-dipyridin-4-ylpropane-1,3-diol is OC(CC(O)c1ccncc1)c1ccncc1.
What is the InChIKey of 1,3-dipyridin-4-ylpropane-1,3-diol?
The InChIKey is YZRSBPROQBJWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12(10-1-5-14-6-2-10)9-13(17)11-3-7-15-8-4-11/h1-8,12-13,16-17H,9H2.
What are the key properties of 1,3-dipyridin-4-ylpropane-1,3-diol?
1,3-dipyridin-4-ylpropane-1,3-diol has a molecular weight of 230.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-4-ylpropane-1,3-diol is sourced from PubChem (CID 153433085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).