(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone

C15H12FNO2 — CID 114518914

IUPAC(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H12FNO2/c16-11-3-8-14(17-9-11)15(18)10-1-4-12(5-2-10)19-13-6-7-13/h1-5,8-9,13H,6-7H2
InChIKeyKWNYQGYIQFMDGK-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.99
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone

(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 114518914) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID114518914
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H12FNO2/c16-11-3-8-14(17-9-11)15(18)10-1-4-12(5-2-10)19-13-6-7-13/h1-5,8-9,13H,6-7H2
InChIKeyKWNYQGYIQFMDGK-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone (CID 114518914) is (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone is O=C(c1ccc(OC2CC2)cc1)c1ccc(F)cn1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is KWNYQGYIQFMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-11-3-8-14(17-9-11)15(18)10-1-4-12(5-2-10)19-13-6-7-13/h1-5,8-9,13H,6-7H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone?
(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 257.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 114518914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).