2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol

C14H14N2O2 — CID 137254256

IUPAC2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
SMILESOCC(/N=C/c1ncccc1O)c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-10-13(11-5-2-1-3-6-11)16-9-12-14(18)7-4-8-15-12/h1-9,13,17-18H,10H2/b16-9+
InChIKeyRSZAFOZHZKKJMI-CXUHLZMHSA-N
MW242.28 g/mol
LogP1.94
Rot. Bonds4

About 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol

2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol (PubChem CID 137254256) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
PubChem CID137254256
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
SMILESOCC(/N=C/c1ncccc1O)c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-10-13(11-5-2-1-3-6-11)16-9-12-14(18)7-4-8-15-12/h1-9,13,17-18H,10H2/b16-9+
InChIKeyRSZAFOZHZKKJMI-CXUHLZMHSA-N
XLogP1.94
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 4086151
2-(methyliminomethyl)pyridin-3-ol
CID 136948272
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
2-[(E)-methoxyiminomethyl]pyridin-3-ol
CID 137012775
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
CID 10914573
CID 10914573
2-[(E)-ethoxyiminomethyl]pyridin-3-ol
CID 137274276
2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol
CID 136776452
(2S)-2-[[5-[5-[[6-[[(1S)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 53491370
2-(3-hydroxyprop-1-enyl)pyridin-3-ol
CID 169452896
2-benzhydrylpyridin-3-ol
CID 125491889

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol (CID 137254256) is 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol is OCC(/N=C/c1ncccc1O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol?
The InChIKey is RSZAFOZHZKKJMI-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-10-13(11-5-2-1-3-6-11)16-9-12-14(18)7-4-8-15-12/h1-9,13,17-18H,10H2/b16-9+.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol?
2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol has a molecular weight of 242.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol is sourced from PubChem (CID 137254256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).