acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid

C16H18N2O5 — CID 70106532

IUPACacetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid
SMILESCC(=O)O.Nc1cccc(CCOc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C14H14N2O3.C2H4O2/c15-13-3-1-2-11(16-13)8-9-19-12-6-4-10(5-7-12)14(17)18;1-2(3)4/h1-7H,8-9H2,(H2,15,16)(H,17,18);1H3,(H,3,4)
InChIKeyXSRGILSUICHWEV-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.07
Rot. Bonds5

About acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid

acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid (PubChem CID 70106532) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid.

Molecular Properties

Compound Nameacetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid
PubChem CID70106532
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Nameacetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid
SMILESCC(=O)O.Nc1cccc(CCOc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C14H14N2O3.C2H4O2/c15-13-3-1-2-11(16-13)8-9-19-12-6-4-10(5-7-12)14(17)18;1-2(3)4/h1-7H,8-9H2,(H2,15,16)(H,17,18);1H3,(H,3,4)
InChIKeyXSRGILSUICHWEV-UHFFFAOYSA-N
XLogP2.07
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid
CID 82105647
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-aminobenzoic acid;4-(2-aminoethoxy)benzoic acid
CID 157214876
methyl 3-[4-[3-(6-amino-2-pyridinyl)propoxy]phenyl]-2-(methylamino)propanoate
CID 59972762
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzoic acid
CID 55179745
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
4-[2-(2-amino-3-methylphenyl)sulfanylethoxy]benzoic acid
CID 79129606
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
4-[2-[4-(2-hydroxyethoxy)phenoxy]ethoxycarbonyl]benzoic acid
CID 57119637
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid?
The IUPAC name of acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid (CID 70106532) is acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid.
What is the SMILES notation for acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid?
The canonical SMILES for acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid is CC(=O)O.Nc1cccc(CCOc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid?
The InChIKey is XSRGILSUICHWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.C2H4O2/c15-13-3-1-2-11(16-13)8-9-19-12-6-4-10(5-7-12)14(17)18;1-2(3)4/h1-7H,8-9H2,(H2,15,16)(H,17,18);1H3,(H,3,4).
What are the key properties of acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid?
acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid has a molecular weight of 318.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid is sourced from PubChem (CID 70106532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).