(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate

C7H5Cl2FN2O2 — CID 15842285

IUPAC(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C7H5Cl2FN2O2/c1-2(13)14-7-4(9)5(11)3(8)6(10)12-7/h1H3,(H2,11,12)
InChIKeyQVCRBKWLSCMWDM-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.04
Rot. Bonds1

About (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate

(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate (PubChem CID 15842285) has the molecular formula C7H5Cl2FN2O2 and a molecular weight of 239.03 g/mol. Its IUPAC name is (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate.

Molecular Properties

Compound Name(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate
PubChem CID15842285
Molecular FormulaC7H5Cl2FN2O2
Molecular Weight239.03 g/mol
Exact Mass237.97
IUPAC Name(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C7H5Cl2FN2O2/c1-2(13)14-7-4(9)5(11)3(8)6(10)12-7/h1H3,(H2,11,12)
InChIKeyQVCRBKWLSCMWDM-UHFFFAOYSA-N
XLogP2.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate?
The IUPAC name of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate (CID 15842285) is (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate.
What is the SMILES notation for (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate?
The canonical SMILES for (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate is CC(=O)Oc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate?
The InChIKey is QVCRBKWLSCMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FN2O2/c1-2(13)14-7-4(9)5(11)3(8)6(10)12-7/h1H3,(H2,11,12).
What are the key properties of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate?
(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate has a molecular weight of 239.03 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate is sourced from PubChem (CID 15842285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).