(2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone

C15H11F2NO3 — CID 71420464

IUPAC(2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cn1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2NO3/c16-10-2-3-12(17)11(7-10)14(19)13-4-1-9(8-18-13)15-20-5-6-21-15/h1-4,7-8,15H,5-6H2
InChIKeySUEPMJBNFSOZIS-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.64
Rot. Bonds3

About (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone

(2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone (PubChem CID 71420464) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
PubChem CID71420464
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name(2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cn1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2NO3/c16-10-2-3-12(17)11(7-10)14(19)13-4-1-9(8-18-13)15-20-5-6-21-15/h1-4,7-8,15H,5-6H2
InChIKeySUEPMJBNFSOZIS-UHFFFAOYSA-N
XLogP2.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone (CID 71420464) is (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone is O=C(c1ccc(C2OCCO2)cn1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The InChIKey is SUEPMJBNFSOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-10-2-3-12(17)11(7-10)14(19)13-4-1-9(8-18-13)15-20-5-6-21-15/h1-4,7-8,15H,5-6H2.
What are the key properties of (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
(2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone has a molecular weight of 291.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 71420464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).