4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one

C19H13FN2O3 — CID 78633025

IUPAC4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=NC2=C(C(=O)c3ccccc32)C(c2ccccc2F)C1[N+](=O)[O-]
InChIInChI=1S/C19H13FN2O3/c1-10-18(22(24)25)15(13-8-4-5-9-14(13)20)16-17(21-10)11-6-2-3-7-12(11)19(16)23/h2-9,15,18H,1H3
InChIKeyPXNSSTRRFSEZCH-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.64
Rot. Bonds2

About 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one

4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 78633025) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID78633025
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=NC2=C(C(=O)c3ccccc32)C(c2ccccc2F)C1[N+](=O)[O-]
InChIInChI=1S/C19H13FN2O3/c1-10-18(22(24)25)15(13-8-4-5-9-14(13)20)16-17(21-10)11-6-2-3-7-12(11)19(16)23/h2-9,15,18H,1H3
InChIKeyPXNSSTRRFSEZCH-UHFFFAOYSA-N
XLogP3.64
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one (CID 78633025) is 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one is CC1=NC2=C(C(=O)c3ccccc32)C(c2ccccc2F)C1[N+](=O)[O-].
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is PXNSSTRRFSEZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c1-10-18(22(24)25)15(13-8-4-5-9-14(13)20)16-17(21-10)11-6-2-3-7-12(11)19(16)23/h2-9,15,18H,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one?
4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 336.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 78633025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).