4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid

C15H15NO3 — CID 67256782

IUPAC4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C15H15NO3/c1-10(2)19-14-8-7-13(9-16-14)11-3-5-12(6-4-11)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyVKAFTDZZSDNMKE-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.23
Rot. Bonds4

About 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid

4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid (PubChem CID 67256782) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
PubChem CID67256782
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C15H15NO3/c1-10(2)19-14-8-7-13(9-16-14)11-3-5-12(6-4-11)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyVKAFTDZZSDNMKE-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 121254066
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
CID 119200444
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
6-propan-2-yloxypyridine-3-carbothioamide
CID 24703491
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
CID 68718953
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
4-(5-methoxypyrazin-2-yl)benzoic acid
CID 67257014
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251

Frequently Asked Questions

What is the IUPAC name of 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid?
The IUPAC name of 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid (CID 67256782) is 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid is CC(C)Oc1ccc(-c2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid?
The InChIKey is VKAFTDZZSDNMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(2)19-14-8-7-13(9-16-14)11-3-5-12(6-4-11)15(17)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid?
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 67256782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).