methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate

C14H12N2O3 — CID 136896258

IUPACmethyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate
SMILESCOC(=O)c1ccc(O)c(/N=C/c2ccccn2)c1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)10-5-6-13(17)12(8-10)16-9-11-4-2-3-7-15-11/h2-9,17H,1H3/b16-9+
InChIKeyHNJIZJLFQGLUMT-CXUHLZMHSA-N
MW256.26 g/mol
LogP2.32
Rot. Bonds3

About methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate

methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate (PubChem CID 136896258) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate
PubChem CID136896258
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate
SMILESCOC(=O)c1ccc(O)c(/N=C/c2ccccn2)c1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)10-5-6-13(17)12(8-10)16-9-11-4-2-3-7-15-11/h2-9,17H,1H3/b16-9+
InChIKeyHNJIZJLFQGLUMT-CXUHLZMHSA-N
XLogP2.32
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-azido-4-hydroxybenzoate
CID 62706001
methyl 3-hydroxy-4-[[2-[(2-hydroxy-4-methoxycarbonylphenyl)methylideneamino]phenyl]iminomethyl]benzoate
CID 136744502
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
methyl 4-hydroxy-3,5-bis[(2-hydroxyphenyl)iminomethyl]benzoate
CID 136845916
methyl 3-[(5-tert-butyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-4-hydroxybenzoate
CID 170524764
methyl 3-hydroxy-4-[[4-[4-[(2-hydroxy-4-methoxycarbonylphenyl)iminomethyl]phenyl]phenyl]methylideneamino]benzoate
CID 135430209
methyl 4-[(4-hydroxy-3-iodophenyl)methylideneamino]-3-methylbenzoate
CID 137100154
3-(pyridin-2-ylmethylideneamino)-9H-fluoren-2-ol
CID 137246748
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate?
The IUPAC name of methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate (CID 136896258) is methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate.
What is the SMILES notation for methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate?
The canonical SMILES for methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate is COC(=O)c1ccc(O)c(/N=C/c2ccccn2)c1.
What is the InChIKey of methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate?
The InChIKey is HNJIZJLFQGLUMT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-14(18)10-5-6-13(17)12(8-10)16-9-11-4-2-3-7-15-11/h2-9,17H,1H3/b16-9+.
What are the key properties of methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate?
methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate has a molecular weight of 256.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate is sourced from PubChem (CID 136896258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).