6-fluoro-1H-indole-3-carbohydrazide

C9H8FN3O — CID 129321028

IUPAC6-fluoro-1H-indole-3-carbohydrazide
SMILESNNC(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C9H8FN3O/c10-5-1-2-6-7(9(14)13-11)4-12-8(6)3-5/h1-4,12H,11H2,(H,13,14)
InChIKeyNQYRTWWHCDSHRP-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.91
Rot. Bonds1

About 6-fluoro-1H-indole-3-carbohydrazide

6-fluoro-1H-indole-3-carbohydrazide (PubChem CID 129321028) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-fluoro-1H-indole-3-carbohydrazide.

Molecular Properties

Compound Name6-fluoro-1H-indole-3-carbohydrazide
PubChem CID129321028
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name6-fluoro-1H-indole-3-carbohydrazide
SMILESNNC(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C9H8FN3O/c10-5-1-2-6-7(9(14)13-11)4-12-8(6)3-5/h1-4,12H,11H2,(H,13,14)
InChIKeyNQYRTWWHCDSHRP-UHFFFAOYSA-N
XLogP0.91
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206252
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide
CID 75448080
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-indole-3-carbohydrazide?
The IUPAC name of 6-fluoro-1H-indole-3-carbohydrazide (CID 129321028) is 6-fluoro-1H-indole-3-carbohydrazide.
What is the SMILES notation for 6-fluoro-1H-indole-3-carbohydrazide?
The canonical SMILES for 6-fluoro-1H-indole-3-carbohydrazide is NNC(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1H-indole-3-carbohydrazide?
The InChIKey is NQYRTWWHCDSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-5-1-2-6-7(9(14)13-11)4-12-8(6)3-5/h1-4,12H,11H2,(H,13,14).
What are the key properties of 6-fluoro-1H-indole-3-carbohydrazide?
6-fluoro-1H-indole-3-carbohydrazide has a molecular weight of 193.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indole-3-carbohydrazide is sourced from PubChem (CID 129321028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).