1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone

C13H8F2N2O3 — CID 107122512

IUPAC1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C13H8F2N2O3/c14-8-5-10(13(15)11(6-8)17(19)20)12(18)7-9-3-1-2-4-16-9/h1-6H,7H2
InChIKeyRQJXOSWEHROLSH-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.69
Rot. Bonds4

About 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone

1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone (PubChem CID 107122512) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone
PubChem CID107122512
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C13H8F2N2O3/c14-8-5-10(13(15)11(6-8)17(19)20)12(18)7-9-3-1-2-4-16-9/h1-6H,7H2
InChIKeyRQJXOSWEHROLSH-UHFFFAOYSA-N
XLogP2.69
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.69
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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Related Compounds

2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
CID 107122499
1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 107122498
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
benzyl 2,5-difluoro-3-nitrobenzoate
CID 107123592
2,5-difluoro-N-hydroxy-3-nitrobenzamide
CID 107122467
(2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol
CID 99794888
2,5-difluoro-N-methyl-3-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107121992
N-(4-bromo-2-pyridinyl)-2,5-difluoro-3-nitrobenzamide
CID 107122453
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 65098515

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone (CID 107122512) is 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone?
The InChIKey is RQJXOSWEHROLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-8-5-10(13(15)11(6-8)17(19)20)12(18)7-9-3-1-2-4-16-9/h1-6H,7H2.
What are the key properties of 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone?
1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone has a molecular weight of 278.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 107122512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).