(2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone

C13H5Cl2FN2O2 — CID 21070509

IUPAC(2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cnc(Cl)nc1Cl)c1cc(F)cc2ccoc12
InChIInChI=1S/C13H5Cl2FN2O2/c14-12-9(5-17-13(15)18-12)10(19)8-4-7(16)3-6-1-2-20-11(6)8/h1-5H
InChIKeyFBUZFJDNHDIOMA-UHFFFAOYSA-N
MW311.10 g/mol
LogP3.90
Rot. Bonds2

About (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone

(2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone (PubChem CID 21070509) has the molecular formula C13H5Cl2FN2O2 and a molecular weight of 311.10 g/mol. Its IUPAC name is (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone
PubChem CID21070509
Molecular FormulaC13H5Cl2FN2O2
Molecular Weight311.10 g/mol
Exact Mass309.97
IUPAC Name(2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cnc(Cl)nc1Cl)c1cc(F)cc2ccoc12
InChIInChI=1S/C13H5Cl2FN2O2/c14-12-9(5-17-13(15)18-12)10(19)8-4-7(16)3-6-1-2-20-11(6)8/h1-5H
InChIKeyFBUZFJDNHDIOMA-UHFFFAOYSA-N
XLogP3.90
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
The IUPAC name of (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone (CID 21070509) is (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone is O=C(c1cnc(Cl)nc1Cl)c1cc(F)cc2ccoc12.
What is the InChIKey of (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
The InChIKey is FBUZFJDNHDIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2FN2O2/c14-12-9(5-17-13(15)18-12)10(19)8-4-7(16)3-6-1-2-20-11(6)8/h1-5H.
What are the key properties of (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
(2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone has a molecular weight of 311.10 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 21070509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).