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

C14H10ClNO3 — CID 114057080

IUPAC(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccnc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H10ClNO3/c15-11-4-1-5-12(9-11)19-14-10(3-2-8-16-14)6-7-13(17)18/h1-9H,(H,17,18)/b7-6+
InChIKeyWBXSIITXXPPKSL-VOTSOKGWSA-N
MW275.69 g/mol
LogP3.63
Rot. Bonds4

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

(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid (PubChem CID 114057080) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
PubChem CID114057080
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccnc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H10ClNO3/c15-11-4-1-5-12(9-11)19-14-10(3-2-8-16-14)6-7-13(17)18/h1-9H,(H,17,18)/b7-6+
InChIKeyWBXSIITXXPPKSL-VOTSOKGWSA-N
XLogP3.63
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617759
3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
CID 61267697
(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
CID 170876770
(E)-3-[4-chloro-2-(3-ethylphenoxy)phenyl]prop-2-enoic acid
CID 114858813
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 12894430
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
2-(3-chlorophenoxy)-N-(4-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 12849372
(E)-3-[4-(3-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
CID 5399154
2-[2-(3-chlorophenoxy)pyridine-3-carbonyl]-3-pyrrolidin-1-ylprop-2-enenitrile
CID 54224695
3-[2-[3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoic acid
CID 70238101
(E)-3-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769761

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid (CID 114057080) is (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid is O=C(O)/C=C/c1cccnc1Oc1cccc(Cl)c1.
What is the InChIKey of (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is WBXSIITXXPPKSL-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-11-4-1-5-12(9-11)19-14-10(3-2-8-16-14)6-7-13(17)18/h1-9H,(H,17,18)/b7-6+.
What are the key properties of (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid?
(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 275.69 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 114057080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).