(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid

C14H10ClNO2 — CID 82090012

IUPAC(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H10ClNO2/c15-11-6-4-10(5-7-11)9-12(14(17)18)13-3-1-2-8-16-13/h1-9H,(H,17,18)/b12-9+
InChIKeySRSAFYHWLQUXED-FMIVXFBMSA-N
MW259.69 g/mol
LogP3.36
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid

(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid (PubChem CID 82090012) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
PubChem CID82090012
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H10ClNO2/c15-11-6-4-10(5-7-11)9-12(14(17)18)13-3-1-2-8-16-13/h1-9H,(H,17,18)/b12-9+
InChIKeySRSAFYHWLQUXED-FMIVXFBMSA-N
XLogP3.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 143887277
3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 145381861
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
(E)-2-phenyl-1-pyridin-2-ylethenol
CID 23039790
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2-[3-chloro-1-(4-methoxyphenyl)buta-1,3-dien-2-yl]pyridine
CID 173484560
3-(4-chlorophenyl)-1-phenyl-2-(pyridine-2-carbonyl)-4-pyridin-2-ylbutane-1,4-dione
CID 122221340
(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 91870939
N-[(Z)-2-chloro-3-phenylprop-2-enyl]pyridine-2-carboxamide
CID 139125511
N-[(Z)-2-chloro-3-phenylprop-2-enyl]pyridine-2-carboxamide
CID 139125512

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid (CID 82090012) is (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid is O=C(O)/C(=C/c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
The InChIKey is SRSAFYHWLQUXED-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-11-6-4-10(5-7-11)9-12(14(17)18)13-3-1-2-8-16-13/h1-9H,(H,17,18)/b12-9+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid has a molecular weight of 259.69 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid is sourced from PubChem (CID 82090012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).