(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone

C13H8FNO4 — CID 71386459

IUPAC(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
SMILESO=C(c1cc(F)ccc1O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO4/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15(18)19/h1-7,16H
InChIKeyJSZZWMAUQXOTMD-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.67
Rot. Bonds3

About (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone

(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone (PubChem CID 71386459) has the molecular formula C13H8FNO4 and a molecular weight of 261.21 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
PubChem CID71386459
Molecular FormulaC13H8FNO4
Molecular Weight261.21 g/mol
Exact Mass261.04
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
SMILESO=C(c1cc(F)ccc1O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO4/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15(18)19/h1-7,16H
InChIKeyJSZZWMAUQXOTMD-UHFFFAOYSA-N
XLogP2.67
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
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

1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801526
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
CID 115735454
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
benzene;2-nitrobenzoic acid
CID 19891435
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
CID 15908933
[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]-(2-nitrophenyl)methanone
CID 90645743
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone (CID 71386459) is (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone is O=C(c1cc(F)ccc1O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone?
The InChIKey is JSZZWMAUQXOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO4/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15(18)19/h1-7,16H.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone?
(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone has a molecular weight of 261.21 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 (5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone is sourced from PubChem (CID 71386459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).