methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate

C15H15FN2O3 — CID 79156562

IUPACmethyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(F)c(NCc2nc(C)ccc2O)c1
InChIInChI=1S/C15H15FN2O3/c1-9-3-6-14(19)13(18-9)8-17-12-7-10(15(20)21-2)4-5-11(12)16/h3-7,17,19H,8H2,1-2H3
InChIKeyDQTXXQPXDACHQY-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.63
Rot. Bonds4

About methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate

methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate (PubChem CID 79156562) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate
PubChem CID79156562
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Namemethyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(F)c(NCc2nc(C)ccc2O)c1
InChIInChI=1S/C15H15FN2O3/c1-9-3-6-14(19)13(18-9)8-17-12-7-10(15(20)21-2)4-5-11(12)16/h3-7,17,19H,8H2,1-2H3
InChIKeyDQTXXQPXDACHQY-UHFFFAOYSA-N
XLogP2.63
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate?
The IUPAC name of methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate (CID 79156562) is methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate.
What is the SMILES notation for methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate?
The canonical SMILES for methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate is COC(=O)c1ccc(F)c(NCc2nc(C)ccc2O)c1.
What is the InChIKey of methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate?
The InChIKey is DQTXXQPXDACHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-3-6-14(19)13(18-9)8-17-12-7-10(15(20)21-2)4-5-11(12)16/h3-7,17,19H,8H2,1-2H3.
What are the key properties of methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate?
methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate has a molecular weight of 290.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate is sourced from PubChem (CID 79156562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).