(Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid

C17H11F2NO7 — CID 135511138

IUPAC(Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)C(=O)c1c(F)ccc(COc2ccc(/C=C(\O)C(=O)O)nc2)c1F
InChIInChI=1S/C17H11F2NO7/c18-11-4-1-8(14(19)13(11)15(22)17(25)26)7-27-10-3-2-9(20-6-10)5-12(21)16(23)24/h1-6,21H,7H2,(H,23,24)(H,25,26)/b12-5-
InChIKeyBYNYCFYHAJOFLP-XGICHPGQSA-N
MW379.27 g/mol
LogP2.19
Rot. Bonds7

About (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid

(Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (PubChem CID 135511138) has the molecular formula C17H11F2NO7 and a molecular weight of 379.27 g/mol. Its IUPAC name is (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
PubChem CID135511138
Molecular FormulaC17H11F2NO7
Molecular Weight379.27 g/mol
Exact Mass379.05
IUPAC Name(Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)C(=O)c1c(F)ccc(COc2ccc(/C=C(\O)C(=O)O)nc2)c1F
InChIInChI=1S/C17H11F2NO7/c18-11-4-1-8(14(19)13(11)15(22)17(25)26)7-27-10-3-2-9(20-6-10)5-12(21)16(23)24/h1-6,21H,7H2,(H,23,24)(H,25,26)/b12-5-
InChIKeyBYNYCFYHAJOFLP-XGICHPGQSA-N
XLogP2.19
TPSA134.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[5-[[3-(2-ethoxy-2-oxoacetyl)-2,4-difluorophenyl]methoxy]-2-pyridinyl]-2-oxopropanoate
CID 91557199
(E)-3-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 114850433
5-[(2,3-difluorophenyl)methoxy]-2-fluoropyridine
CID 115371725
5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794837
5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794595
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
3-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800410
5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 55173092
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793811
5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
CID 115282947
3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79800146

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The IUPAC name of (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (CID 135511138) is (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The canonical SMILES for (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is O=C(O)C(=O)c1c(F)ccc(COc2ccc(/C=C(\O)C(=O)O)nc2)c1F.
What is the InChIKey of (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The InChIKey is BYNYCFYHAJOFLP-XGICHPGQSA-N. The full InChI is InChI=1S/C17H11F2NO7/c18-11-4-1-8(14(19)13(11)15(22)17(25)26)7-27-10-3-2-9(20-6-10)5-12(21)16(23)24/h1-6,21H,7H2,(H,23,24)(H,25,26)/b12-5-.
What are the key properties of (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
(Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid has a molecular weight of 379.27 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 135511138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).