2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid

C14H12ClNO3 — CID 12945031

IUPAC2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Oc2cccc(Cl)c2)nc1
InChIInChI=1S/C14H12ClNO3/c1-9(14(17)18)10-5-6-13(16-8-10)19-12-4-2-3-11(15)7-12/h2-9H,1H3,(H,17,18)
InChIKeyVECVDEXJIXDDEX-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.72
Rot. Bonds4

About 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid

2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid (PubChem CID 12945031) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid
PubChem CID12945031
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Oc2cccc(Cl)c2)nc1
InChIInChI=1S/C14H12ClNO3/c1-9(14(17)18)10-5-6-13(16-8-10)19-12-4-2-3-11(15)7-12/h2-9H,1H3,(H,17,18)
InChIKeyVECVDEXJIXDDEX-UHFFFAOYSA-N
XLogP3.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
CID 107087158
2-(4-phenoxyphenyl)propanoic acid
CID 527817
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
5-chloro-2-(4-propan-2-ylphenoxy)pyridine
CID 66234556
2-(3-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937337
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
5-methyl-2-(3-propan-2-yloxyphenoxy)pyridine
CID 118591940
1-(6-chloro-3-pyridinyl)ethanone;1-(6-phenoxy-3-pyridinyl)ethanone
CID 161154288
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid?
The IUPAC name of 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid (CID 12945031) is 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid is CC(C(=O)O)c1ccc(Oc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid?
The InChIKey is VECVDEXJIXDDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9(14(17)18)10-5-6-13(16-8-10)19-12-4-2-3-11(15)7-12/h2-9H,1H3,(H,17,18).
What are the key properties of 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid?
2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid has a molecular weight of 277.71 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 12945031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).