(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid

C9H9Cl2FN2O3 — CID 171060276

IUPAC(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid
SMILESC[C@H](CC(=O)O)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C9H9Cl2FN2O3/c1-3(2-4(15)16)17-9-6(11)7(13)5(10)8(12)14-9/h3H,2H2,1H3,(H2,13,14)(H,15,16)/t3-/m1/s1
InChIKeyOMLCSNLPVGYHCT-GSVOUGTGSA-N
MW283.09 g/mol
LogP2.35
Rot. Bonds4

About (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid

(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid (PubChem CID 171060276) has the molecular formula C9H9Cl2FN2O3 and a molecular weight of 283.09 g/mol. Its IUPAC name is (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid
PubChem CID171060276
Molecular FormulaC9H9Cl2FN2O3
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid
SMILESC[C@H](CC(=O)O)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C9H9Cl2FN2O3/c1-3(2-4(15)16)17-9-6(11)7(13)5(10)8(12)14-9/h3H,2H2,1H3,(H2,13,14)(H,15,16)/t3-/m1/s1
InChIKeyOMLCSNLPVGYHCT-GSVOUGTGSA-N
XLogP2.35
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid with MolForge

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Related Compounds

2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
CID 164930241
2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082543
3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
CID 166995843
1,1,1,2,3,3,3-heptadeuteriopropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 169440678
propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082569
2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoic acid;deuterioethyne;(propan-2-ylideneamino) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate;N-propan-2-ylidenehydroxylamine
CID 163466921
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
S-[(4-methylphenyl)methyl] 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]ethanethioate
CID 167082555
(benzhydrylideneamino) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082661
5-chloro-2,6-difluoropyridine-3,4-diamine
CID 22284051
(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103548238
(3-methylphenyl)methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082625

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid?
The IUPAC name of (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid (CID 171060276) is (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid.
What is the SMILES notation for (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid?
The canonical SMILES for (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid is C[C@H](CC(=O)O)Oc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid?
The InChIKey is OMLCSNLPVGYHCT-GSVOUGTGSA-N. The full InChI is InChI=1S/C9H9Cl2FN2O3/c1-3(2-4(15)16)17-9-6(11)7(13)5(10)8(12)14-9/h3H,2H2,1H3,(H2,13,14)(H,15,16)/t3-/m1/s1.
What are the key properties of (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid?
(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid has a molecular weight of 283.09 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid is sourced from PubChem (CID 171060276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).