2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid

C17H19NO3 — CID 68886862

IUPAC2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(-c2ccc(OC)nc2)cc1
InChIInChI=1S/C17H19NO3/c1-3-4-15(17(19)20)13-7-5-12(6-8-13)14-9-10-16(21-2)18-11-14/h5-11,15H,3-4H2,1-2H3,(H,19,20)
InChIKeyDDNHSVQYTYZDGD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.73
Rot. Bonds6

About 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid

2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid (PubChem CID 68886862) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
PubChem CID68886862
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(-c2ccc(OC)nc2)cc1
InChIInChI=1S/C17H19NO3/c1-3-4-15(17(19)20)13-7-5-12(6-8-13)14-9-10-16(21-2)18-11-14/h5-11,15H,3-4H2,1-2H3,(H,19,20)
InChIKeyDDNHSVQYTYZDGD-UHFFFAOYSA-N
XLogP3.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid
CID 68888731
2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid
CID 68887277
(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
CID 19926608
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
CID 126427472
2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid
CID 104571914
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 114938682
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid?
The IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid (CID 68886862) is 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid.
What is the SMILES notation for 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid?
The canonical SMILES for 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid is CCCC(C(=O)O)c1ccc(-c2ccc(OC)nc2)cc1.
What is the InChIKey of 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid?
The InChIKey is DDNHSVQYTYZDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-4-15(17(19)20)13-7-5-12(6-8-13)14-9-10-16(21-2)18-11-14/h5-11,15H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid?
2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid is sourced from PubChem (CID 68886862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).