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

C15H15NO3 — CID 63264970

IUPAC4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
SMILESCc1ccc(C(=O)O)cc1OCCc1cccnc1
InChIInChI=1S/C15H15NO3/c1-11-4-5-13(15(17)18)9-14(11)19-8-6-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeyAMLYUCOZXUUDRY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.71
Rot. Bonds5

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

4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid (PubChem CID 63264970) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
PubChem CID63264970
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
SMILESCc1ccc(C(=O)O)cc1OCCc1cccnc1
InChIInChI=1S/C15H15NO3/c1-11-4-5-13(15(17)18)9-14(11)19-8-6-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeyAMLYUCOZXUUDRY-UHFFFAOYSA-N
XLogP2.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
CID 106954787
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
4-methyl-3-(phenylmethoxymethoxy)benzoic acid
CID 102939348
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
3-methyl-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 62702591
1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol
CID 63651512
3-[3-methyl-4-(2-pyridin-3-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63262710
4-methyl-3-(3-methylbut-3-enoxy)benzoic acid
CID 114471315

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid?
The IUPAC name of 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid (CID 63264970) is 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid.
What is the SMILES notation for 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid?
The canonical SMILES for 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid is Cc1ccc(C(=O)O)cc1OCCc1cccnc1.
What is the InChIKey of 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid?
The InChIKey is AMLYUCOZXUUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-4-5-13(15(17)18)9-14(11)19-8-6-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,18).
What are the key properties of 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid?
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid is sourced from PubChem (CID 63264970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).