2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol

C13H14N2O2 — CID 151918401

IUPAC2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol
SMILESCOc1cccc(Nc2c(C)cccc2O)n1
InChIInChI=1S/C13H14N2O2/c1-9-5-3-6-10(16)13(9)15-11-7-4-8-12(14-11)17-2/h3-8,16H,1-2H3,(H,14,15)
InChIKeySWFZSZVLKQRNLP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds3

About 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol

2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol (PubChem CID 151918401) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol
PubChem CID151918401
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol
SMILESCOc1cccc(Nc2c(C)cccc2O)n1
InChIInChI=1S/C13H14N2O2/c1-9-5-3-6-10(16)13(9)15-11-7-4-8-12(14-11)17-2/h3-8,16H,1-2H3,(H,14,15)
InChIKeySWFZSZVLKQRNLP-UHFFFAOYSA-N
XLogP2.85
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 175799531
2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157019644
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
6-methoxy-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 79756545
N,6-bis(2,6-dimethylphenyl)pyridin-2-amine
CID 102591191
5-[(6-methoxy-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 168850050
1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol
CID 66178809
2-hydrazinyl-3-methylphenol
CID 130966480
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate
CID 167160763
3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol (CID 151918401) is 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol is COc1cccc(Nc2c(C)cccc2O)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol?
The InChIKey is SWFZSZVLKQRNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-3-6-10(16)13(9)15-11-7-4-8-12(14-11)17-2/h3-8,16H,1-2H3,(H,14,15).
What are the key properties of 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol?
2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol has a molecular weight of 230.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol is sourced from PubChem (CID 151918401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).