2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone

C20H15FN2O4 — CID 158477974

IUPAC2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(-c3ccccc3F)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H15FN2O4/c1-27-20-9-7-14(11-18(20)23(25)26)19(24)10-13-6-8-17(22-12-13)15-4-2-3-5-16(15)21/h2-9,11-12H,10H2,1H3
InChIKeyHHEBBXCJRMIFDM-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.23
Rot. Bonds6

About 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone

2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone (PubChem CID 158477974) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone
PubChem CID158477974
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(-c3ccccc3F)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H15FN2O4/c1-27-20-9-7-14(11-18(20)23(25)26)19(24)10-13-6-8-17(22-12-13)15-4-2-3-5-16(15)21/h2-9,11-12H,10H2,1H3
InChIKeyHHEBBXCJRMIFDM-UHFFFAOYSA-N
XLogP4.23
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.23
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-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone?
The IUPAC name of 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone (CID 158477974) is 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone.
What is the SMILES notation for 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone?
The canonical SMILES for 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone is COc1ccc(C(=O)Cc2ccc(-c3ccccc3F)nc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone?
The InChIKey is HHEBBXCJRMIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-27-20-9-7-14(11-18(20)23(25)26)19(24)10-13-6-8-17(22-12-13)15-4-2-3-5-16(15)21/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone?
2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone has a molecular weight of 366.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-(4-methoxy-3-nitrophenyl)ethanone is sourced from PubChem (CID 158477974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).