2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid

C21H17NO6 — CID 15529741

IUPAC2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cccc(COc2ccccc2C(=O)O)n1
InChIInChI=1S/C21H17NO6/c23-20(24)16-8-1-3-10-18(16)27-12-14-6-5-7-15(22-14)13-28-19-11-4-2-9-17(19)21(25)26/h1-11H,12-13H2,(H,23,24)(H,25,26)
InChIKeyFLBNNXMPQRZDFI-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.64
Rot. Bonds8

About 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid

2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid (PubChem CID 15529741) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
PubChem CID15529741
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cccc(COc2ccccc2C(=O)O)n1
InChIInChI=1S/C21H17NO6/c23-20(24)16-8-1-3-10-18(16)27-12-14-6-5-7-15(22-14)13-28-19-11-4-2-9-17(19)21(25)26/h1-11H,12-13H2,(H,23,24)(H,25,26)
InChIKeyFLBNNXMPQRZDFI-UHFFFAOYSA-N
XLogP3.64
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide
CID 11365555
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid?
The IUPAC name of 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid (CID 15529741) is 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid?
The canonical SMILES for 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid is O=C(O)c1ccccc1OCc1cccc(COc2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid?
The InChIKey is FLBNNXMPQRZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6/c23-20(24)16-8-1-3-10-18(16)27-12-14-6-5-7-15(22-14)13-28-19-11-4-2-9-17(19)21(25)26/h1-11H,12-13H2,(H,23,24)(H,25,26).
What are the key properties of 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid?
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid has a molecular weight of 379.37 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid is sourced from PubChem (CID 15529741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).