3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid

C15H14ClNO3 — CID 106505344

IUPAC3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccccc2Cl)C(=O)O)nc1
InChIInChI=1S/C15H14ClNO3/c1-20-11-6-7-14(17-9-11)12(15(18)19)8-10-4-2-3-5-13(10)16/h2-7,9,12H,8H2,1H3,(H,18,19)
InChIKeyDMUOTSGQCHJAOD-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.15
Rot. Bonds5

About 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid

3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid (PubChem CID 106505344) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
PubChem CID106505344
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccccc2Cl)C(=O)O)nc1
InChIInChI=1S/C15H14ClNO3/c1-20-11-6-7-14(17-9-11)12(15(18)19)8-10-4-2-3-5-13(10)16/h2-7,9,12H,8H2,1H3,(H,18,19)
InChIKeyDMUOTSGQCHJAOD-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid
CID 104572799
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
CID 113428198
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572904
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
(2R)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231
3-(2-chlorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 104572783
3-[(2-chlorophenyl)methyl]-4-oxopentanoic acid
CID 11207203

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid (CID 106505344) is 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid is COc1ccc(C(Cc2ccccc2Cl)C(=O)O)nc1.
What is the InChIKey of 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid?
The InChIKey is DMUOTSGQCHJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-11-6-7-14(17-9-11)12(15(18)19)8-10-4-2-3-5-13(10)16/h2-7,9,12H,8H2,1H3,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid?
3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid has a molecular weight of 291.73 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 106505344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).