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

C17H16N2O2 — CID 135461178

IUPAC4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1
InChIInChI=1S/C17H16N2O2/c20-15-6-5-12(16(21)10-15)9-13-3-2-8-19-17(13)14-4-1-7-18-11-14/h1,4-7,9-11,20-21H,2-3,8H2/b13-9+
InChIKeyQRWSRVCUSXDCQU-UKTHLTGXSA-N
MW280.33 g/mol
LogP3.16
Rot. Bonds2

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

4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol (PubChem CID 135461178) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol
PubChem CID135461178
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1
InChIInChI=1S/C17H16N2O2/c20-15-6-5-12(16(21)10-15)9-13-3-2-8-19-17(13)14-4-1-7-18-11-14/h1,4-7,9-11,20-21H,2-3,8H2/b13-9+
InChIKeyQRWSRVCUSXDCQU-UKTHLTGXSA-N
XLogP3.16
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol (CID 135461178) is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol is Oc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1.
What is the InChIKey of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol?
The InChIKey is QRWSRVCUSXDCQU-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-15-6-5-12(16(21)10-15)9-13-3-2-8-19-17(13)14-4-1-7-18-11-14/h1,4-7,9-11,20-21H,2-3,8H2/b13-9+.
What are the key properties of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol?
4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol has a molecular weight of 280.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 135461178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).