2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid

C13H9Cl2FN2O4 — CID 10020566

IUPAC2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1nc(F)c(Cl)c(Oc2ccc(O)cc2)c1Cl
InChIInChI=1S/C13H9Cl2FN2O4/c14-9-11(22-7-3-1-6(19)2-4-7)10(15)13(18-12(9)16)17-5-8(20)21/h1-4,19H,5H2,(H,17,18)(H,20,21)
InChIKeyUCNLDCDACZZKFX-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.52
Rot. Bonds5

About 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid

2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid (PubChem CID 10020566) has the molecular formula C13H9Cl2FN2O4 and a molecular weight of 347.13 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid
PubChem CID10020566
Molecular FormulaC13H9Cl2FN2O4
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1nc(F)c(Cl)c(Oc2ccc(O)cc2)c1Cl
InChIInChI=1S/C13H9Cl2FN2O4/c14-9-11(22-7-3-1-6(19)2-4-7)10(15)13(18-12(9)16)17-5-8(20)21/h1-4,19H,5H2,(H,17,18)(H,20,21)
InChIKeyUCNLDCDACZZKFX-UHFFFAOYSA-N
XLogP3.52
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid (CID 10020566) is 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid is O=C(O)CNc1nc(F)c(Cl)c(Oc2ccc(O)cc2)c1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid?
The InChIKey is UCNLDCDACZZKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O4/c14-9-11(22-7-3-1-6(19)2-4-7)10(15)13(18-12(9)16)17-5-8(20)21/h1-4,19H,5H2,(H,17,18)(H,20,21).
What are the key properties of 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid?
2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid has a molecular weight of 347.13 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-fluoro-4-(4-hydroxyphenoxy)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 10020566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).