5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol

C76H75N7O7 — CID 158334877

IUPAC5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol
SMILESCC(C)(C)c1cc(O)c(-c2ccccn2)c(C(C)(C)C)c1.Cc1ccc(-c2ccccc2O)nc1.Cc1cccc(-c2ccccn2)c1O.Nc1ccc(-c2ccccn2)c(O)c1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1ncccc1O
InChIInChI=1S/C19H25NO.2C12H11NO.C11H10N2O.C11H9NO2.C11H9NO/c1-18(2,3)13-11-14(19(4,5)6)17(16(21)12-13)15-9-7-8-10-20-15;1-9-5-4-6-10(12(9)14)11-7-2-3-8-13-11;1-9-6-7-11(13-8-9)10-4-2-3-5-12(10)14;12-8-4-5-9(11(14)7-8)10-3-1-2-6-13-10;13-9-5-2-1-4-8(9)11-10(14)6-3-7-12-11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10/h7-12,21H,1-6H3;2*2-8,14H,1H3;1-7,14H,12H2;1-7,13-14H;1-8,13H
InChIKeyGQLNDRWBLQYDBI-UHFFFAOYSA-N
MW1198.48 g/mol
LogP17.22
Rot. Bonds6

About 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol

5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol (PubChem CID 158334877) has the molecular formula C76H75N7O7 and a molecular weight of 1198.48 g/mol. Its IUPAC name is 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol.

Molecular Properties

Compound Name5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol
PubChem CID158334877
Molecular FormulaC76H75N7O7
Molecular Weight1198.48 g/mol
Exact Mass1197.57
IUPAC Name5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol
SMILESCC(C)(C)c1cc(O)c(-c2ccccn2)c(C(C)(C)C)c1.Cc1ccc(-c2ccccc2O)nc1.Cc1cccc(-c2ccccn2)c1O.Nc1ccc(-c2ccccn2)c(O)c1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1ncccc1O
InChIInChI=1S/C19H25NO.2C12H11NO.C11H10N2O.C11H9NO2.C11H9NO/c1-18(2,3)13-11-14(19(4,5)6)17(16(21)12-13)15-9-7-8-10-20-15;1-9-5-4-6-10(12(9)14)11-7-2-3-8-13-11;1-9-6-7-11(13-8-9)10-4-2-3-5-12(10)14;12-8-4-5-9(11(14)7-8)10-3-1-2-6-13-10;13-9-5-2-1-4-8(9)11-10(14)6-3-7-12-11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10/h7-12,21H,1-6H3;2*2-8,14H,1H3;1-7,14H,12H2;1-7,13-14H;1-8,13H
InChIKeyGQLNDRWBLQYDBI-UHFFFAOYSA-N
XLogP17.22
TPSA244.97 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001198.48
LogP ≤ 517.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
5-amino-2-(5-amino-2-pyridinyl)phenol
CID 175138948
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 166806244
2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
CID 153499233
2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol
CID 166511940
2-pyridin-2-ylphenol;hydrate
CID 175244966
1-(3,5-ditert-butyl-2-pyridinyl)-8-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]carbazol-9-ide;platinum(2+)
CID 164731226
2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 140868578
2-(2-tert-butylphenyl)pyridine
CID 67807360
2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
CID 153499003
3-amino-2-(5-methyl-2-pyridinyl)phenol
CID 135788298
4-tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-pyridin-2-ylphenol
CID 135961661

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol?
The IUPAC name of 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol (CID 158334877) is 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol.
What is the SMILES notation for 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol?
The canonical SMILES for 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol is CC(C)(C)c1cc(O)c(-c2ccccn2)c(C(C)(C)C)c1.Cc1ccc(-c2ccccc2O)nc1.Cc1cccc(-c2ccccn2)c1O.Nc1ccc(-c2ccccn2)c(O)c1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1ncccc1O.
What is the InChIKey of 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol?
The InChIKey is GQLNDRWBLQYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.2C12H11NO.C11H10N2O.C11H9NO2.C11H9NO/c1-18(2,3)13-11-14(19(4,5)6)17(16(21)12-13)15-9-7-8-10-20-15;1-9-5-4-6-10(12(9)14)11-7-2-3-8-13-11;1-9-6-7-11(13-8-9)10-4-2-3-5-12(10)14;12-8-4-5-9(11(14)7-8)10-3-1-2-6-13-10;13-9-5-2-1-4-8(9)11-10(14)6-3-7-12-11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10/h7-12,21H,1-6H3;2*2-8,14H,1H3;1-7,14H,12H2;1-7,13-14H;1-8,13H.
What are the key properties of 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol?
5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol has a molecular weight of 1198.48 g/mol, XLogP of 17.22, 6 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-pyridin-2-ylphenol;3,5-ditert-butyl-2-pyridin-2-ylphenol;2-(2-hydroxyphenyl)pyridin-3-ol;2-(5-methyl-2-pyridinyl)phenol;2-methyl-6-pyridin-2-ylphenol;2-pyridin-2-ylphenol is sourced from PubChem (CID 158334877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).