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

C17H16N2O — CID 135530053

IUPAC4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
SMILESOc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C17H16N2O/c20-16-7-5-13(6-8-16)11-14-3-2-10-19-17(14)15-4-1-9-18-12-15/h1,4-9,11-12,20H,2-3,10H2/b14-11+
InChIKeyJWWQXOCTMDBZHM-SDNWHVSQSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds2

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

4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol (PubChem CID 135530053) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
PubChem CID135530053
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
SMILESOc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C17H16N2O/c20-16-7-5-13(6-8-16)11-14-3-2-10-19-17(14)15-4-1-9-18-12-15/h1,4-9,11-12,20H,2-3,10H2/b14-11+
InChIKeyJWWQXOCTMDBZHM-SDNWHVSQSA-N
XLogP3.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]phenol?
The IUPAC name of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol (CID 135530053) is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol.
What is the SMILES notation for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The canonical SMILES for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol is Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The InChIKey is JWWQXOCTMDBZHM-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H16N2O/c20-16-7-5-13(6-8-16)11-14-3-2-10-19-17(14)15-4-1-9-18-12-15/h1,4-9,11-12,20H,2-3,10H2/b14-11+.
What are the key properties of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol has a molecular weight of 264.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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]phenol is sourced from PubChem (CID 135530053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).