2-(tripyridin-2-ylmethyliminomethyl)phenol

C23H18N4O — CID 136611669

IUPAC2-(tripyridin-2-ylmethyliminomethyl)phenol
SMILESOc1ccccc1/C=N/C(c1ccccn1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C23H18N4O/c28-19-10-2-1-9-18(19)17-27-23(20-11-3-6-14-24-20,21-12-4-7-15-25-21)22-13-5-8-16-26-22/h1-17,28H/b27-17+
InChIKeyMDGFKRXGEFLXPG-WPWMEQJKSA-N
MW366.42 g/mol
LogP3.99
Rot. Bonds5

About 2-(tripyridin-2-ylmethyliminomethyl)phenol

2-(tripyridin-2-ylmethyliminomethyl)phenol (PubChem CID 136611669) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(tripyridin-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name2-(tripyridin-2-ylmethyliminomethyl)phenol
PubChem CID136611669
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-(tripyridin-2-ylmethyliminomethyl)phenol
SMILESOc1ccccc1/C=N/C(c1ccccn1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C23H18N4O/c28-19-10-2-1-9-18(19)17-27-23(20-11-3-6-14-24-20,21-12-4-7-15-25-21)22-13-5-8-16-26-22/h1-17,28H/b27-17+
InChIKeyMDGFKRXGEFLXPG-WPWMEQJKSA-N
XLogP3.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-
CID 744728
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382
3-[(7R,8R,9aR)-7,8-dimethyl-2-(pyridin-2-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094383
3-[(7R,8R,9aR)-7,8-dimethyl-2-(pyridin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094384
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053

Frequently Asked Questions

What is the IUPAC name of 2-(tripyridin-2-ylmethyliminomethyl)phenol?
The IUPAC name of 2-(tripyridin-2-ylmethyliminomethyl)phenol (CID 136611669) is 2-(tripyridin-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 2-(tripyridin-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 2-(tripyridin-2-ylmethyliminomethyl)phenol is Oc1ccccc1/C=N/C(c1ccccn1)(c1ccccn1)c1ccccn1.
What is the InChIKey of 2-(tripyridin-2-ylmethyliminomethyl)phenol?
The InChIKey is MDGFKRXGEFLXPG-WPWMEQJKSA-N. The full InChI is InChI=1S/C23H18N4O/c28-19-10-2-1-9-18(19)17-27-23(20-11-3-6-14-24-20,21-12-4-7-15-25-21)22-13-5-8-16-26-22/h1-17,28H/b27-17+.
What are the key properties of 2-(tripyridin-2-ylmethyliminomethyl)phenol?
2-(tripyridin-2-ylmethyliminomethyl)phenol has a molecular weight of 366.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tripyridin-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 136611669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).