(2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone

C17H15F2N3O3 — CID 2741548

IUPAC(2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C17H15F2N3O3/c18-12-1-3-14(15(19)9-12)17(23)11-5-7-21(8-6-11)16-4-2-13(10-20-16)22(24)25/h1-4,9-11H,5-8H2
InChIKeyUQLRHUGCMKWETD-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.37
Rot. Bonds4

About (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone

(2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone (PubChem CID 2741548) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone
PubChem CID2741548
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name(2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C17H15F2N3O3/c18-12-1-3-14(15(19)9-12)17(23)11-5-7-21(8-6-11)16-4-2-13(10-20-16)22(24)25/h1-4,9-11H,5-8H2
InChIKeyUQLRHUGCMKWETD-UHFFFAOYSA-N
XLogP3.37
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone (CID 2741548) is (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone?
The InChIKey is UQLRHUGCMKWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c18-12-1-3-14(15(19)9-12)17(23)11-5-7-21(8-6-11)16-4-2-13(10-20-16)22(24)25/h1-4,9-11H,5-8H2.
What are the key properties of (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone?
(2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone has a molecular weight of 347.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanone is sourced from PubChem (CID 2741548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).