2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid

C9H8FNO5 — CID 131557302

IUPAC2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid
SMILESCc1c(F)ccc([N+](=O)[O-])c1C(O)C(=O)O
InChIInChI=1S/C9H8FNO5/c1-4-5(10)2-3-6(11(15)16)7(4)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyKFNPIIMDBQEFJE-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.16
Rot. Bonds3

About 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid

2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid (PubChem CID 131557302) has the molecular formula C9H8FNO5 and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid
PubChem CID131557302
Molecular FormulaC9H8FNO5
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid
SMILESCc1c(F)ccc([N+](=O)[O-])c1C(O)C(=O)O
InChIInChI=1S/C9H8FNO5/c1-4-5(10)2-3-6(11(15)16)7(4)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyKFNPIIMDBQEFJE-UHFFFAOYSA-N
XLogP1.16
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.16
H-Bond Donors ≤ 52
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

(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
2-(2,6-difluoro-3-nitrophenyl)propanoic acid
CID 57371352
2-hydroxy-2-[6-nitro-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 119002692
2-(4-bromo-2-fluoro-6-nitrophenyl)-2-hydroxyacetic acid
CID 118821996
2-(2-cyano-6-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 170996317
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
2-(2-fluoro-5-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 131566605
2-[6-bromo-3-nitro-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 171000450
2-[2-(1-bromo-2-oxopropyl)-6-nitrophenyl]-2-hydroxyacetic acid
CID 135740981
4-fluoro-3-methyl-2-nitrobenzoic acid
CID 53430691
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
CID 131420861
2-[2-(3-bromopropanoyl)-6-nitrophenyl]-2-hydroxyacetic acid
CID 118813949

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid (CID 131557302) is 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid is Cc1c(F)ccc([N+](=O)[O-])c1C(O)C(=O)O.
What is the InChIKey of 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid?
The InChIKey is KFNPIIMDBQEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO5/c1-4-5(10)2-3-6(11(15)16)7(4)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid?
2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid has a molecular weight of 229.16 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131557302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).