5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile

C14H8FNO3 — CID 3079411

IUPAC5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2F)cc(O)c1O
InChIInChI=1S/C14H8FNO3/c15-11-4-2-1-3-10(11)13(18)8-5-9(7-16)14(19)12(17)6-8/h1-6,17,19H
InChIKeyZSTLBCUHYUTGRS-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.34
Rot. Bonds2

About 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile

5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile (PubChem CID 3079411) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
PubChem CID3079411
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2F)cc(O)c1O
InChIInChI=1S/C14H8FNO3/c15-11-4-2-1-3-10(11)13(18)8-5-9(7-16)14(19)12(17)6-8/h1-6,17,19H
InChIKeyZSTLBCUHYUTGRS-UHFFFAOYSA-N
XLogP2.34
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
CID 56647959
(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
(2-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
CID 11279298
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 14094133
5-(2-bromoacetyl)-2,3-dihydroxybenzonitrile
CID 21459065
3-benzoyl-4-fluorobenzonitrile
CID 83393087
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
2-amino-5-(2-hydroxybenzoyl)pyridine-3-carbonitrile
CID 14714980
(2-fluorophenyl)-(3-iodophenyl)methanone
CID 24722822
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile?
The IUPAC name of 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile (CID 3079411) is 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile.
What is the SMILES notation for 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile?
The canonical SMILES for 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile is N#Cc1cc(C(=O)c2ccccc2F)cc(O)c1O.
What is the InChIKey of 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile?
The InChIKey is ZSTLBCUHYUTGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-11-4-2-1-3-10(11)13(18)8-5-9(7-16)14(19)12(17)6-8/h1-6,17,19H.
What are the key properties of 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile?
5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile has a molecular weight of 257.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile is sourced from PubChem (CID 3079411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).