2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid

C15H13NO4 — CID 87856736

IUPAC2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid
SMILESCc1nc(Oc2cccc(CC(=O)O)c2)ccc1C=O
InChIInChI=1S/C15H13NO4/c1-10-12(9-17)5-6-14(16-10)20-13-4-2-3-11(7-13)8-15(18)19/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyCPBPQBNRSMAMSP-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.62
Rot. Bonds5

About 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid

2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid (PubChem CID 87856736) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid
PubChem CID87856736
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid
SMILESCc1nc(Oc2cccc(CC(=O)O)c2)ccc1C=O
InChIInChI=1S/C15H13NO4/c1-10-12(9-17)5-6-14(16-10)20-13-4-2-3-11(7-13)8-15(18)19/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyCPBPQBNRSMAMSP-UHFFFAOYSA-N
XLogP2.62
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398210
2-(3-ethenoxyphenyl)acetic acid
CID 88995868
2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
CID 144799433

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid (CID 87856736) is 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid is Cc1nc(Oc2cccc(CC(=O)O)c2)ccc1C=O.
What is the InChIKey of 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid?
The InChIKey is CPBPQBNRSMAMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-10-12(9-17)5-6-14(16-10)20-13-4-2-3-11(7-13)8-15(18)19/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid?
2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid has a molecular weight of 271.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid is sourced from PubChem (CID 87856736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).