[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate

C17H10ClF2N3O3 — CID 175585681

IUPAC[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate
SMILESCC(=O)Oc1ccnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2F)n1
InChIInChI=1S/C17H10ClF2N3O3/c1-9(24)25-15-4-5-21-16(23-15)12-3-2-11(7-13(12)19)26-17-14(20)6-10(18)8-22-17/h2-8H,1H3
InChIKeySTCSTMSXXCPYAM-UHFFFAOYSA-N
MW377.73 g/mol
LogP4.19
Rot. Bonds4

About [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate

[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate (PubChem CID 175585681) has the molecular formula C17H10ClF2N3O3 and a molecular weight of 377.73 g/mol. Its IUPAC name is [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate.

Molecular Properties

Compound Name[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate
PubChem CID175585681
Molecular FormulaC17H10ClF2N3O3
Molecular Weight377.73 g/mol
Exact Mass377.04
IUPAC Name[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate
SMILESCC(=O)Oc1ccnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2F)n1
InChIInChI=1S/C17H10ClF2N3O3/c1-9(24)25-15-4-5-21-16(23-15)12-3-2-11(7-13(12)19)26-17-14(20)6-10(18)8-22-17/h2-8H,1H3
InChIKeySTCSTMSXXCPYAM-UHFFFAOYSA-N
XLogP4.19
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.73
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] 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 [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate?
The IUPAC name of [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate (CID 175585681) is [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate.
What is the SMILES notation for [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate?
The canonical SMILES for [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate is CC(=O)Oc1ccnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2F)n1.
What is the InChIKey of [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate?
The InChIKey is STCSTMSXXCPYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N3O3/c1-9(24)25-15-4-5-21-16(23-15)12-3-2-11(7-13(12)19)26-17-14(20)6-10(18)8-22-17/h2-8H,1H3.
What are the key properties of [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate?
[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate has a molecular weight of 377.73 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-fluorophenyl]pyrimidin-4-yl] acetate is sourced from PubChem (CID 175585681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).