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

C14H10ClNO2 — CID 145381861

IUPAC3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C14H10ClNO2/c15-11-5-3-4-10(8-11)9-12(14(17)18)13-6-1-2-7-16-13/h1-9H,(H,17,18)
InChIKeyPRBCJPXZUOQURG-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.36
Rot. Bonds3

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

3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid (PubChem CID 145381861) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
PubChem CID145381861
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C14H10ClNO2/c15-11-5-3-4-10(8-11)9-12(14(17)18)13-6-1-2-7-16-13/h1-9H,(H,17,18)
InChIKeyPRBCJPXZUOQURG-UHFFFAOYSA-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-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 82090012
2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine
CID 18763102
(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 143887277
(Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoic acid
CID 122235656
3-[(E)-3-oxo-2-pyridin-2-ylbut-1-enyl]benzonitrile
CID 67851267
(Z)-2-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955984
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955993
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
(E)-2-phenyl-1-pyridin-2-ylethenol
CID 23039790
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
gadolinium;pyridine-2-carboxylic acid
CID 175231422
(2Z,3Z)-2,3-bis[(3-chlorophenyl)methylidene]butanedial
CID 11370939

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
The IUPAC name of 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid (CID 145381861) is 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
The canonical SMILES for 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid is O=C(O)C(=Cc1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
The InChIKey is PRBCJPXZUOQURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-11-5-3-4-10(8-11)9-12(14(17)18)13-6-1-2-7-16-13/h1-9H,(H,17,18).
What are the key properties of 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid?
3-(3-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 3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid is sourced from PubChem (CID 145381861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).