(3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C17H16F2N2O3 — CID 146106621

About (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 146106621) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 146106621
• Molecular Formula: C17H16F2N2O3
• Molecular Weight: 334.32 g/mol
• Exact Mass: 334.11
• IUPAC Name: (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(OC2CCN(C(=O)c3cc(F)cc(F)c3O)C2)nc1
• InChI: InChI=1S/C17H16F2N2O3/c1-10-2-3-15(20-8-10)24-12-4-5-21(9-12)17(23)13-6-11(18)7-14(19)16(13)22/h2-3,6-8,12,22H,4-5,9H2,1H3
• InChIKey: MHKUTSMDCRGTOS-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.32
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 146106621) is (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3cc(F)cc(F)c3O)C2)nc1.

What is the InChIKey of (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is MHKUTSMDCRGTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-2-3-15(20-8-10)24-12-4-5-21(9-12)17(23)13-6-11(18)7-14(19)16(13)22/h2-3,6-8,12,22H,4-5,9H2,1H3.

What are the key properties of (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 334.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146106621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).