2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid

C14H13ClN2O4 — CID 11809022

IUPAC2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2N)cc1)C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,16H2,1H3,(H,18,19)
InChIKeyAHJZUSIDZIPNRJ-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid

2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid (PubChem CID 11809022) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
PubChem CID11809022
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2N)cc1)C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,16H2,1H3,(H,18,19)
InChIKeyAHJZUSIDZIPNRJ-UHFFFAOYSA-N
XLogP2.96
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 67929203
CID 67929203
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
CID 59849870
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-chloro-2-(4-ethoxyphenoxy)pyridin-3-amine
CID 79021347
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
ethynyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 139247839
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 59849985
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
3-phenylmethoxypropyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 13132208

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid (CID 11809022) is 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid is CC(Oc1ccc(Oc2ncc(Cl)cc2N)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The InChIKey is AHJZUSIDZIPNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid has a molecular weight of 308.72 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid is sourced from PubChem (CID 11809022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).