4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid

C14H14N2O3 — CID 106954787

IUPAC4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)c(OCCc2cccnc2)c1
InChIInChI=1S/C14H14N2O3/c15-11-3-4-12(14(17)18)13(8-11)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7,15H2,(H,17,18)
InChIKeyILDBOOXANHTEJM-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds5

About 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid

4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid (PubChem CID 106954787) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
PubChem CID106954787
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)c(OCCc2cccnc2)c1
InChIInChI=1S/C14H14N2O3/c15-11-3-4-12(14(17)18)13(8-11)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7,15H2,(H,17,18)
InChIKeyILDBOOXANHTEJM-UHFFFAOYSA-N
XLogP1.98
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.98
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-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
3,4-bis(5-pyridin-3-ylpentoxy)phthalic acid
CID 139784044
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
4-amino-2-nonoxybenzoic acid
CID 106954713
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
4-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
4-amino-2-(3-methylsulfanylpropoxy)benzoic acid
CID 106954863

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid?
The IUPAC name of 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid (CID 106954787) is 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid.
What is the SMILES notation for 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid?
The canonical SMILES for 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid is Nc1ccc(C(=O)O)c(OCCc2cccnc2)c1.
What is the InChIKey of 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid?
The InChIKey is ILDBOOXANHTEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-11-3-4-12(14(17)18)13(8-11)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7,15H2,(H,17,18).
What are the key properties of 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid?
4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid is sourced from PubChem (CID 106954787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).