2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol

C12H11FN2O — CID 70954619

IUPAC2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol
SMILESCc1cc(Nc2ccc(O)c(F)c2)ccn1
InChIInChI=1S/C12H11FN2O/c1-8-6-10(4-5-14-8)15-9-2-3-12(16)11(13)7-9/h2-7,16H,1H3,(H,14,15)
InChIKeyAGFJNDAJSBJLKB-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.98
Rot. Bonds2

About 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol

2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol (PubChem CID 70954619) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol
PubChem CID70954619
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol
SMILESCc1cc(Nc2ccc(O)c(F)c2)ccn1
InChIInChI=1S/C12H11FN2O/c1-8-6-10(4-5-14-8)15-9-2-3-12(16)11(13)7-9/h2-7,16H,1H3,(H,14,15)
InChIKeyAGFJNDAJSBJLKB-UHFFFAOYSA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol?
The IUPAC name of 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol (CID 70954619) is 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol.
What is the SMILES notation for 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol?
The canonical SMILES for 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol is Cc1cc(Nc2ccc(O)c(F)c2)ccn1.
What is the InChIKey of 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol?
The InChIKey is AGFJNDAJSBJLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-6-10(4-5-14-8)15-9-2-3-12(16)11(13)7-9/h2-7,16H,1H3,(H,14,15).
What are the key properties of 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol?
2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol has a molecular weight of 218.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methyl-4-pyridinyl)amino]phenol is sourced from PubChem (CID 70954619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).