2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid

C15H13NO3 — CID 129450942

IUPAC2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ccc(/C=C/c2ccccc2)nc1
InChIInChI=1S/C15H13NO3/c17-15(18)11-19-14-9-8-13(16-10-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)/b7-6+
InChIKeyDYBAIYPVMRRIEA-VOTSOKGWSA-N
MW255.27 g/mol
LogP2.72
Rot. Bonds5

About 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid

2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid (PubChem CID 129450942) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid
PubChem CID129450942
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ccc(/C=C/c2ccccc2)nc1
InChIInChI=1S/C15H13NO3/c17-15(18)11-19-14-9-8-13(16-10-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)/b7-6+
InChIKeyDYBAIYPVMRRIEA-VOTSOKGWSA-N
XLogP2.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938
2-[4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 97014182
5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine
CID 129451859
2-[3-[2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 126809089
(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
CID 129452128
2-[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]acetic acid
CID 5377973
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
CID 75052814
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
2-phenoxyacetic acid;titanium
CID 174896747
3-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800410
(E)-3-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridinyl]prop-2-enoic acid
CID 175184878

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid (CID 129450942) is 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid is O=C(O)COc1ccc(/C=C/c2ccccc2)nc1.
What is the InChIKey of 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid?
The InChIKey is DYBAIYPVMRRIEA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(18)11-19-14-9-8-13(16-10-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)/b7-6+.
What are the key properties of 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid?
2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 129450942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).