2-[(3-amino-4-pyridinyl)methoxy]phenol

C12H12N2O2 — CID 105469628

IUPAC2-[(3-amino-4-pyridinyl)methoxy]phenol
SMILESNc1cnccc1COc1ccccc1O
InChIInChI=1S/C12H12N2O2/c13-10-7-14-6-5-9(10)8-16-12-4-2-1-3-11(12)15/h1-7,15H,8,13H2
InChIKeyBASXMVHSVSTUKP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.95
Rot. Bonds3

About 2-[(3-amino-4-pyridinyl)methoxy]phenol

2-[(3-amino-4-pyridinyl)methoxy]phenol (PubChem CID 105469628) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)methoxy]phenol.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)methoxy]phenol
PubChem CID105469628
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[(3-amino-4-pyridinyl)methoxy]phenol
SMILESNc1cnccc1COc1ccccc1O
InChIInChI=1S/C12H12N2O2/c13-10-7-14-6-5-9(10)8-16-12-4-2-1-3-11(12)15/h1-7,15H,8,13H2
InChIKeyBASXMVHSVSTUKP-UHFFFAOYSA-N
XLogP1.95
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(aminomethyl)-4-pyridinyl]methoxy]phenol
CID 105487920
4-[(4-methylnaphthalen-1-yl)oxymethyl]pyridin-3-amine
CID 91296316
2-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469613
4-[(4-fluorophenoxy)methyl]pyridin-3-amine
CID 105472082
4-[(2-bromophenyl)methoxy]pyridin-3-amine
CID 82828460
4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine
CID 123676377
3-(naphthalen-1-ylmethoxy)pyridin-4-amine
CID 10422219
2-[(5-amino-1H-imidazol-2-yl)methoxy]phenol
CID 117187252
4-(2-aminoethyl)pyridin-3-amine
CID 55254309
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
2-[(5-amino-2H-triazol-4-yl)methoxy]phenol
CID 117214154
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 107341776

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)methoxy]phenol?
The IUPAC name of 2-[(3-amino-4-pyridinyl)methoxy]phenol (CID 105469628) is 2-[(3-amino-4-pyridinyl)methoxy]phenol.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)methoxy]phenol?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)methoxy]phenol is Nc1cnccc1COc1ccccc1O.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)methoxy]phenol?
The InChIKey is BASXMVHSVSTUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-10-7-14-6-5-9(10)8-16-12-4-2-1-3-11(12)15/h1-7,15H,8,13H2.
What are the key properties of 2-[(3-amino-4-pyridinyl)methoxy]phenol?
2-[(3-amino-4-pyridinyl)methoxy]phenol has a molecular weight of 216.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)methoxy]phenol is sourced from PubChem (CID 105469628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).