N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine

C9H7FN2O — CID 170923503

IUPACN-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine
SMILESON=Cc1c[nH]c2cccc(F)c12
InChIInChI=1S/C9H7FN2O/c10-7-2-1-3-8-9(7)6(4-11-8)5-12-13/h1-5,11,13H
InChIKeyFLDACXCEJKIURQ-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.12
Rot. Bonds1

About N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine

N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine (PubChem CID 170923503) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine
PubChem CID170923503
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC NameN-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine
SMILESON=Cc1c[nH]c2cccc(F)c12
InChIInChI=1S/C9H7FN2O/c10-7-2-1-3-8-9(7)6(4-11-8)5-12-13/h1-5,11,13H
InChIKeyFLDACXCEJKIURQ-UHFFFAOYSA-N
XLogP2.12
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine 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

3,4-difluoro-1H-indole
CID 90939330
4-fluoro-1H-indol-3-amine
CID 82417499
ethyl 3-(4-fluoro-1H-indol-3-yl)prop-2-enoate
CID 123310892
N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826534
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
3-cyclobutyl-4-fluoro-1H-indole
CID 86277821
(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
CID 137262829
4-fluoro-3-piperidin-4-yl-1H-indole
CID 15337634
(1S)-1-(4-fluoro-1H-indol-3-yl)propan-1-ol
CID 82793918
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
4-bromo-3-fluoro-1H-indole
CID 66817286
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine (CID 170923503) is N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine is ON=Cc1c[nH]c2cccc(F)c12.
What is the InChIKey of N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine?
The InChIKey is FLDACXCEJKIURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-2-1-3-8-9(7)6(4-11-8)5-12-13/h1-5,11,13H.
What are the key properties of N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine?
N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine has a molecular weight of 178.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1H-indol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 170923503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).