7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one

C13H8ClFN2O2 — CID 172821717

IUPAC7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3nc(Cl)ncc3F)ccc21
InChIInChI=1S/C13H8ClFN2O2/c14-13-16-6-9(15)12(17-13)7-1-2-8-10(18)3-4-19-11(8)5-7/h1-2,5-6H,3-4H2
InChIKeyUHWMHNHQBNFSOJ-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.90
Rot. Bonds1

About 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one

7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 172821717) has the molecular formula C13H8ClFN2O2 and a molecular weight of 278.67 g/mol. Its IUPAC name is 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one
PubChem CID172821717
Molecular FormulaC13H8ClFN2O2
Molecular Weight278.67 g/mol
Exact Mass278.03
IUPAC Name7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3nc(Cl)ncc3F)ccc21
InChIInChI=1S/C13H8ClFN2O2/c14-13-16-6-9(15)12(17-13)7-1-2-8-10(18)3-4-19-11(8)5-7/h1-2,5-6H,3-4H2
InChIKeyUHWMHNHQBNFSOJ-UHFFFAOYSA-N
XLogP2.90
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one 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 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one (CID 172821717) is 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one is O=C1CCOc2cc(-c3nc(Cl)ncc3F)ccc21.
What is the InChIKey of 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is UHWMHNHQBNFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2/c14-13-16-6-9(15)12(17-13)7-1-2-8-10(18)3-4-19-11(8)5-7/h1-2,5-6H,3-4H2.
What are the key properties of 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one?
7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 278.67 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-fluoropyrimidin-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 172821717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).