4-(pyridin-2-yloxymethyl)benzoic acid

C13H11NO3 — CID 21105508

IUPAC4-(pyridin-2-yloxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COc2ccccn2)cc1
InChIInChI=1S/C13H11NO3/c15-13(16)11-6-4-10(5-7-11)9-17-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)
InChIKeyBZRVHACLLVFXAC-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.36
Rot. Bonds4

About 4-(pyridin-2-yloxymethyl)benzoic acid

4-(pyridin-2-yloxymethyl)benzoic acid (PubChem CID 21105508) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(pyridin-2-yloxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(pyridin-2-yloxymethyl)benzoic acid
PubChem CID21105508
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-(pyridin-2-yloxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COc2ccccn2)cc1
InChIInChI=1S/C13H11NO3/c15-13(16)11-6-4-10(5-7-11)9-17-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)
InChIKeyBZRVHACLLVFXAC-UHFFFAOYSA-N
XLogP2.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(pyridin-2-yloxymethyl)benzamide
CID 75402934
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
2-(pyridin-4-ylmethoxy)pyridine
CID 126954867
4-phenylmethoxybenzoic acid
CID 68896574
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
2-chloro-5-(pyridin-2-yloxymethyl)pyridine
CID 131560661
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-yloxymethyl)benzoic acid?
The IUPAC name of 4-(pyridin-2-yloxymethyl)benzoic acid (CID 21105508) is 4-(pyridin-2-yloxymethyl)benzoic acid.
What is the SMILES notation for 4-(pyridin-2-yloxymethyl)benzoic acid?
The canonical SMILES for 4-(pyridin-2-yloxymethyl)benzoic acid is O=C(O)c1ccc(COc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-yloxymethyl)benzoic acid?
The InChIKey is BZRVHACLLVFXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(16)11-6-4-10(5-7-11)9-17-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16).
What are the key properties of 4-(pyridin-2-yloxymethyl)benzoic acid?
4-(pyridin-2-yloxymethyl)benzoic acid has a molecular weight of 229.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-yloxymethyl)benzoic acid is sourced from PubChem (CID 21105508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).