2-fluoro-2-(6-nitroindol-1-yl)acetic acid

C10H7FN2O4 — CID 81297879

IUPAC2-fluoro-2-(6-nitroindol-1-yl)acetic acid
SMILESO=C(O)C(F)n1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H7FN2O4/c11-9(10(14)15)12-4-3-6-1-2-7(13(16)17)5-8(6)12/h1-5,9H,(H,14,15)
InChIKeyASHHYAYXKKWAGA-UHFFFAOYSA-N
MW238.17 g/mol
LogP2.10
Rot. Bonds3

About 2-fluoro-2-(6-nitroindol-1-yl)acetic acid

2-fluoro-2-(6-nitroindol-1-yl)acetic acid (PubChem CID 81297879) has the molecular formula C10H7FN2O4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-fluoro-2-(6-nitroindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(6-nitroindol-1-yl)acetic acid
PubChem CID81297879
Molecular FormulaC10H7FN2O4
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name2-fluoro-2-(6-nitroindol-1-yl)acetic acid
SMILESO=C(O)C(F)n1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H7FN2O4/c11-9(10(14)15)12-4-3-6-1-2-7(13(16)17)5-8(6)12/h1-5,9H,(H,14,15)
InChIKeyASHHYAYXKKWAGA-UHFFFAOYSA-N
XLogP2.10
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 52.10
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'}

Analyze 2-fluoro-2-(6-nitroindol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-nitroindol-1-yl)propanoic acid
CID 60765771
2-(5-nitroindol-1-yl)propanoic acid
CID 60756249
2-(5-nitroindol-1-yl)-4-phenylbutanoic acid
CID 174549983
1-(5-nitroindol-1-yl)ethanol
CID 141070113
4-(6-nitroindol-1-yl)but-2-enoic acid
CID 76940715
1-(6-nitroindol-1-yl)butan-2-one
CID 62039751
ethane;5-nitro-1-propan-2-ylindole
CID 143287721
1-(3-methylbutyl)-6-nitroindole
CID 116621059
methyl 2-bromo-3-(6-nitroindol-1-yl)propanoate
CID 81092389
N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide
CID 116621018
[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
CID 116621083
2-fluoro-2-(5-nitro-2-oxopyrimidin-1-yl)acetic acid
CID 104697111

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-nitroindol-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(6-nitroindol-1-yl)acetic acid (CID 81297879) is 2-fluoro-2-(6-nitroindol-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(6-nitroindol-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(6-nitroindol-1-yl)acetic acid is O=C(O)C(F)n1ccc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-fluoro-2-(6-nitroindol-1-yl)acetic acid?
The InChIKey is ASHHYAYXKKWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4/c11-9(10(14)15)12-4-3-6-1-2-7(13(16)17)5-8(6)12/h1-5,9H,(H,14,15).
What are the key properties of 2-fluoro-2-(6-nitroindol-1-yl)acetic acid?
2-fluoro-2-(6-nitroindol-1-yl)acetic acid has a molecular weight of 238.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-nitroindol-1-yl)acetic acid is sourced from PubChem (CID 81297879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).