3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol

C19H20N2O2 — CID 136503244

IUPAC3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
SMILESCC(O)c1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1
InChIInChI=1S/C19H20N2O2/c1-13(22)18-11-17(23)7-6-14(18)10-15-4-3-9-21-19(15)16-5-2-8-20-12-16/h2,5-8,10-13,22-23H,3-4,9H2,1H3/b15-10+
InChIKeyLGGBHLYGNDADCE-XNTDXEJSSA-N
MW308.38 g/mol
LogP3.51
Rot. Bonds3

About 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol

3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol (PubChem CID 136503244) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
PubChem CID136503244
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
SMILESCC(O)c1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1
InChIInChI=1S/C19H20N2O2/c1-13(22)18-11-17(23)7-6-14(18)10-15-4-3-9-21-19(15)16-5-2-8-20-12-16/h2,5-8,10-13,22-23H,3-4,9H2,1H3/b15-10+
InChIKeyLGGBHLYGNDADCE-XNTDXEJSSA-N
XLogP3.51
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The IUPAC name of 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol (CID 136503244) is 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol.
What is the SMILES notation for 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The canonical SMILES for 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol is CC(O)c1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1.
What is the InChIKey of 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The InChIKey is LGGBHLYGNDADCE-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(22)18-11-17(23)7-6-14(18)10-15-4-3-9-21-19(15)16-5-2-8-20-12-16/h2,5-8,10-13,22-23H,3-4,9H2,1H3/b15-10+.
What are the key properties of 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol has a molecular weight of 308.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol is sourced from PubChem (CID 136503244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).