2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid

C15H16N2O4 — CID 107076898

IUPAC2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1cc(C)nc(COc2ccc(N)c(C(=O)O)c2)c1
InChIInChI=1S/C15H16N2O4/c1-9-5-12(20-2)6-10(17-9)8-21-11-3-4-14(16)13(7-11)15(18)19/h3-7H,8,16H2,1-2H3,(H,18,19)
InChIKeyAZYUCMJIXVMDBB-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.26
Rot. Bonds5

About 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid

2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid (PubChem CID 107076898) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
PubChem CID107076898
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1cc(C)nc(COc2ccc(N)c(C(=O)O)c2)c1
InChIInChI=1S/C15H16N2O4/c1-9-5-12(20-2)6-10(17-9)8-21-11-3-4-14(16)13(7-11)15(18)19/h3-7H,8,16H2,1-2H3,(H,18,19)
InChIKeyAZYUCMJIXVMDBB-UHFFFAOYSA-N
XLogP2.26
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
CID 83136870
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 116541105
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891533
(1S)-1-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82892794
2-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 103887327
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid (CID 107076898) is 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid is COc1cc(C)nc(COc2ccc(N)c(C(=O)O)c2)c1.
What is the InChIKey of 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid?
The InChIKey is AZYUCMJIXVMDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-5-12(20-2)6-10(17-9)8-21-11-3-4-14(16)13(7-11)15(18)19/h3-7H,8,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid?
2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 107076898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).