(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid

C16H15NO4 — CID 83956223

IUPAC(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
SMILESCOc1ccc(OC)c(/C(=C/c2cccnc2)C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-20-12-5-6-15(21-2)13(9-12)14(16(18)19)8-11-4-3-7-17-10-11/h3-10H,1-2H3,(H,18,19)/b14-8-
InChIKeyGUGAGHTVIWNPAY-ZSOIEALJSA-N
MW285.30 g/mol
LogP2.72
Rot. Bonds5

About (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid

(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid (PubChem CID 83956223) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
PubChem CID83956223
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
SMILESCOc1ccc(OC)c(/C(=C/c2cccnc2)C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-20-12-5-6-15(21-2)13(9-12)14(16(18)19)8-11-4-3-7-17-10-11/h3-10H,1-2H3,(H,18,19)/b14-8-
InChIKeyGUGAGHTVIWNPAY-ZSOIEALJSA-N
XLogP2.72
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 6366746
(Z)-2-(2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950731
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956228
(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956040
(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83956118
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
(Z)-3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 83952935
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820
(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
CID 83955419
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid (CID 83956223) is (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid is COc1ccc(OC)c(/C(=C/c2cccnc2)C(=O)O)c1.
What is the InChIKey of (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid?
The InChIKey is GUGAGHTVIWNPAY-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-12-5-6-15(21-2)13(9-12)14(16(18)19)8-11-4-3-7-17-10-11/h3-10H,1-2H3,(H,18,19)/b14-8-.
What are the key properties of (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid?
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid is sourced from PubChem (CID 83956223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).