3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol

C17H14N2O2 — CID 139448607

IUPAC3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol
SMILESOc1ccc(Nc2ccnc(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C17H14N2O2/c20-15-6-4-13(5-7-15)19-14-8-9-18-17(11-14)12-2-1-3-16(21)10-12/h1-11,20-21H,(H,18,19)
InChIKeyJYAVMMUFTUBZJE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.90
Rot. Bonds3

About 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol

3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol (PubChem CID 139448607) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol
PubChem CID139448607
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol
SMILESOc1ccc(Nc2ccnc(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C17H14N2O2/c20-15-6-4-13(5-7-15)19-14-8-9-18-17(11-14)12-2-1-3-16(21)10-12/h1-11,20-21H,(H,18,19)
InChIKeyJYAVMMUFTUBZJE-UHFFFAOYSA-N
XLogP3.90
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Roxindole
CID 219050
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
5-Amino-8-hydroxyquinoline
CID 416002
6-Hydroxyquinoline
CID 11374
NoName_714
CID 135489221
2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate
CID 3077884
9-Amino-2-hydroxyacridine
CID 23520
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indol-5-ol
CID 44396396
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol?
The IUPAC name of 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol (CID 139448607) is 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol is Oc1ccc(Nc2ccnc(-c3cccc(O)c3)c2)cc1.
What is the InChIKey of 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol?
The InChIKey is JYAVMMUFTUBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-15-6-4-13(5-7-15)19-14-8-9-18-17(11-14)12-2-1-3-16(21)10-12/h1-11,20-21H,(H,18,19).
What are the key properties of 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol?
3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol has a molecular weight of 278.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyanilino)-2-pyridinyl]phenol is sourced from PubChem (CID 139448607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).