(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid

C15H10N2O3 — CID 80633791

IUPAC(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid
SMILESN#Cc1cccc(Oc2ccc(/C=C/C(=O)O)cn2)c1
InChIInChI=1S/C15H10N2O3/c16-9-12-2-1-3-13(8-12)20-14-6-4-11(10-17-14)5-7-15(18)19/h1-8,10H,(H,18,19)/b7-5+
InChIKeyXWROCABUSCNLFO-FNORWQNLSA-N
MW266.26 g/mol
LogP2.84
Rot. Bonds4

About (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid

(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid (PubChem CID 80633791) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid
PubChem CID80633791
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid
SMILESN#Cc1cccc(Oc2ccc(/C=C/C(=O)O)cn2)c1
InChIInChI=1S/C15H10N2O3/c16-9-12-2-1-3-13(8-12)20-14-6-4-11(10-17-14)5-7-15(18)19/h1-8,10H,(H,18,19)/b7-5+
InChIKeyXWROCABUSCNLFO-FNORWQNLSA-N
XLogP2.84
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.84
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)-3-[6-[3-(dimethylamino)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 80638679
(E)-3-[6-(3,4-dimethylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632890
(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 21287966
4-(3-cyanophenoxy)but-2-enoic acid
CID 76940598
(E)-3-[6-(4-methylsulfanylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632893
(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
CID 67696229
3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide
CID 68716824
(E)-3-[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]prop-2-enoic acid
CID 116802424
6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid
CID 134204717
(E)-3-[6-(2-bromo-4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632966
(E)-3-[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80633344
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid (CID 80633791) is (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid is N#Cc1cccc(Oc2ccc(/C=C/C(=O)O)cn2)c1.
What is the InChIKey of (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is XWROCABUSCNLFO-FNORWQNLSA-N. The full InChI is InChI=1S/C15H10N2O3/c16-9-12-2-1-3-13(8-12)20-14-6-4-11(10-17-14)5-7-15(18)19/h1-8,10H,(H,18,19)/b7-5+.
What are the key properties of (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid?
(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 80633791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).