(Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid

C15H13NO4 — CID 135411106

IUPAC(Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C15H13NO4/c17-13(15(18)19)9-12-7-4-8-14(16-12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)/b13-9-
InChIKeyNSFDDLDBGIFSHM-LCYFTJDESA-N
MW271.27 g/mol
LogP2.64
Rot. Bonds5

About (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid

(Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid (PubChem CID 135411106) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
PubChem CID135411106
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C15H13NO4/c17-13(15(18)19)9-12-7-4-8-14(16-12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)/b13-9-
InChIKeyNSFDDLDBGIFSHM-LCYFTJDESA-N
XLogP2.64
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(2-propoxyquinolin-3-yl)prop-2-enoic acid
CID 2451326
Picoxystrobin metabolite M8
CID 138394697
(Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridyl]-2-hydroxy-prop-2-enoic acid
CID 135411108
4-(4,6-Diphenyl-2-pyridyloxy)butanoic acid
CID 10314767
6-[(4,6-Diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10406292
5-(4,6-Diphenyl-pyridin-2-yloxy)-pentanoic acid
CID 10427789
7-(4,6-Diphenyl-pyridin-2-yloxy)-heptanoic acid
CID 10474602
6-(4,6-Diphenyl-pyridin-2-yloxy)-hexanoic acid methyl ester
CID 14946858
Picoxystrobin Impurity
CID 66916405
7-hydroxy-4-(2-(6-methylpyridin-2-yloxy)ethyl)-2H-chromen-2-one
CID 46225004
(Z)-3-[4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
CID 135993378
3-(2-ethoxyquinolin-3-yl)prop-2-enoic Acid
CID 2451331

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid (CID 135411106) is (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid is O=C(O)/C(O)=C/c1cccc(OCc2ccccc2)n1.
What is the InChIKey of (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid?
The InChIKey is NSFDDLDBGIFSHM-LCYFTJDESA-N. The full InChI is InChI=1S/C15H13NO4/c17-13(15(18)19)9-12-7-4-8-14(16-12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)/b13-9-.
What are the key properties of (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid?
(Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 135411106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).