2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol

C13H14N2O — CID 20564343

IUPAC2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol
SMILESCc1cc(-c2ccc(N)c(O)c2)cc(C)n1
InChIInChI=1S/C13H14N2O/c1-8-5-11(6-9(2)15-8)10-3-4-12(14)13(16)7-10/h3-7,16H,14H2,1-2H3
InChIKeyHZJLWOZUPCOSLP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.65
Rot. Bonds1

About 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol

2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol (PubChem CID 20564343) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol.

Molecular Properties

Compound Name2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol
PubChem CID20564343
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol
SMILESCc1cc(-c2ccc(N)c(O)c2)cc(C)n1
InChIInChI=1S/C13H14N2O/c1-8-5-11(6-9(2)15-8)10-3-4-12(14)13(16)7-10/h3-7,16H,14H2,1-2H3
InChIKeyHZJLWOZUPCOSLP-UHFFFAOYSA-N
XLogP2.65
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol?
The IUPAC name of 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol (CID 20564343) is 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol.
What is the SMILES notation for 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol?
The canonical SMILES for 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol is Cc1cc(-c2ccc(N)c(O)c2)cc(C)n1.
What is the InChIKey of 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol?
The InChIKey is HZJLWOZUPCOSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-5-11(6-9(2)15-8)10-3-4-12(14)13(16)7-10/h3-7,16H,14H2,1-2H3.
What are the key properties of 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol?
2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol has a molecular weight of 214.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol is sourced from PubChem (CID 20564343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).