3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate

C14H11ClNO3- — CID 23062220

IUPAC3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESO=C([O-])CC(O)(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H12ClNO3/c15-11-6-4-10(5-7-11)14(19,9-13(17)18)12-3-1-2-8-16-12/h1-8,19H,9H2,(H,17,18)/p-1
InChIKeyKYAODAVIKSCRNE-UHFFFAOYSA-M
MW276.70 g/mol
LogP1.11
Rot. Bonds4

About 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate

3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate (PubChem CID 23062220) has the molecular formula C14H11ClNO3- and a molecular weight of 276.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate
PubChem CID23062220
Molecular FormulaC14H11ClNO3-
Molecular Weight276.70 g/mol
Exact Mass276.04
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESO=C([O-])CC(O)(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H12ClNO3/c15-11-6-4-10(5-7-11)14(19,9-13(17)18)12-3-1-2-8-16-12/h1-8,19H,9H2,(H,17,18)/p-1
InChIKeyKYAODAVIKSCRNE-UHFFFAOYSA-M
XLogP1.11
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-dipyridin-2-ylmethanol
CID 142751464
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
(1S)-2-nitro-1-phenyl-1-pyridin-2-ylethanol
CID 139167628
copper;bis(dipyridin-2-ylmethanediol);diacetate;tetrahydrate
CID 139065937
(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 71168693
2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
CID 1480392
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate
CID 102184338
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
bis(dipyridin-2-ylmethanediol);nickel(2+);dibenzoate
CID 139079602

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate (CID 23062220) is 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate is O=C([O-])CC(O)(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate?
The InChIKey is KYAODAVIKSCRNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClNO3/c15-11-6-4-10(5-7-11)14(19,9-13(17)18)12-3-1-2-8-16-12/h1-8,19H,9H2,(H,17,18)/p-1.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate?
3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate has a molecular weight of 276.70 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 23062220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).