2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol

C24H18N4O2 — CID 136701704

IUPAC2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N\c1cccnc1-c1ncccc1/N=C/c1ccccc1O
InChIInChI=1S/C24H18N4O2/c29-21-11-3-1-7-17(21)15-27-19-9-5-13-25-23(19)24-20(10-6-14-26-24)28-16-18-8-2-4-12-22(18)30/h1-16,29-30H/b27-15-,28-16+
InChIKeyCMNFZXLIDAFLBF-XFPKHNAPSA-N
MW394.43 g/mol
LogP5.06
Rot. Bonds5

About 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol

2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol (PubChem CID 136701704) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol
PubChem CID136701704
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N\c1cccnc1-c1ncccc1/N=C/c1ccccc1O
InChIInChI=1S/C24H18N4O2/c29-21-11-3-1-7-17(21)15-27-19-9-5-13-25-23(19)24-20(10-6-14-26-24)28-16-18-8-2-4-12-22(18)30/h1-16,29-30H/b27-15-,28-16+
InChIKeyCMNFZXLIDAFLBF-XFPKHNAPSA-N
XLogP5.06
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-Quinoxalin-2-ylphenol
CID 787366
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-Methyl-2-[(quinolin-3-ylamino)methyl]phenol
CID 951116
3-[[[5-(4-Hydroxyphenyl)pyridin-3-yl]amino]methyl]phenol
CID 11197100

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol (CID 136701704) is 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol is Oc1ccccc1/C=N\c1cccnc1-c1ncccc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol?
The InChIKey is CMNFZXLIDAFLBF-XFPKHNAPSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-21-11-3-1-7-17(21)15-27-19-9-5-13-25-23(19)24-20(10-6-14-26-24)28-16-18-8-2-4-12-22(18)30/h1-16,29-30H/b27-15-,28-16+.
What are the key properties of 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol?
2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol has a molecular weight of 394.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[(2-hydroxyphenyl)methylideneamino]-2-pyridinyl]-3-pyridinyl]iminomethyl]phenol is sourced from PubChem (CID 136701704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).