2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid

C14H14N2O3 — CID 107077008

IUPAC2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
SMILESCc1cccnc1COc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-6-16-13(9)8-19-10-4-5-12(15)11(7-10)14(17)18/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyYQHXHDDLLHZPDY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid

2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid (PubChem CID 107077008) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
PubChem CID107077008
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
SMILESCc1cccnc1COc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-6-16-13(9)8-19-10-4-5-12(15)11(7-10)14(17)18/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyYQHXHDDLLHZPDY-UHFFFAOYSA-N
XLogP2.25
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
5-bromo-3-methyl-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981987
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107076898
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
4-[(3-methyl-2-pyridinyl)methoxy]-1H-pyridin-2-one
CID 152538105

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid (CID 107077008) is 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid is Cc1cccnc1COc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
The InChIKey is YQHXHDDLLHZPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-2-6-16-13(9)8-19-10-4-5-12(15)11(7-10)14(17)18/h2-7H,8,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 107077008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).