2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate

C16H19F3N6O3 — CID 161225015

IUPAC2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate
SMILESCOc1cc(F)cc(F)c1C#N.COc1cc(F)cc2[nH]nc(N)c12.NN.O
InChIInChI=1S/C8H5F2NO.C8H8FN3O.H4N2.H2O/c1-12-8-3-5(9)2-7(10)6(8)4-11;1-13-6-3-4(9)2-5-7(6)8(10)12-11-5;1-2;/h2-3H,1H3;2-3H,1H3,(H3,10,11,12);1-2H2;1H2
InChIKeyFOMHTNVGPMMVAX-UHFFFAOYSA-N
MW400.36 g/mol
LogP1.13
Rot. Bonds2

About 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate

2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate (PubChem CID 161225015) has the molecular formula C16H19F3N6O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate.

Molecular Properties

Compound Name2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate
PubChem CID161225015
Molecular FormulaC16H19F3N6O3
Molecular Weight400.36 g/mol
Exact Mass400.15
IUPAC Name2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate
SMILESCOc1cc(F)cc(F)c1C#N.COc1cc(F)cc2[nH]nc(N)c12.NN.O
InChIInChI=1S/C8H5F2NO.C8H8FN3O.H4N2.H2O/c1-12-8-3-5(9)2-7(10)6(8)4-11;1-13-6-3-4(9)2-5-7(6)8(10)12-11-5;1-2;/h2-3H,1H3;2-3H,1H3,(H3,10,11,12);1-2H2;1H2
InChIKeyFOMHTNVGPMMVAX-UHFFFAOYSA-N
XLogP1.13
TPSA180.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25195330
4-[6-(trifluoromethoxy)-1H-indazol-3-yl]benzonitrile
CID 137661020
6-methoxy-1H-indazol-3-amine
CID 21409192
4-(3-methylphenoxy)-1H-indazol-3-amine
CID 44523368
4-(1-ethoxypropan-2-yloxy)-1H-indazol-3-amine
CID 49830788
4-Methoxy-1H-indazol-3-amine
CID 18526053
7-fluoro-4-methoxy-1H-indazol-3-amine
CID 58054460
3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile
CID 22260779
3-(3-Fluoro-phenyl)-6-methoxy-1H-indazole-5-carbonitrile
CID 22260780
5-Fluoro-4-methoxy-1H-indazol-3-amine
CID 58054568
6-Fluoro-4-methoxy-1H-indazol-3-amine
CID 58054571

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate?
The IUPAC name of 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate (CID 161225015) is 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate.
What is the SMILES notation for 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate?
The canonical SMILES for 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate is COc1cc(F)cc(F)c1C#N.COc1cc(F)cc2[nH]nc(N)c12.NN.O.
What is the InChIKey of 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate?
The InChIKey is FOMHTNVGPMMVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO.C8H8FN3O.H4N2.H2O/c1-12-8-3-5(9)2-7(10)6(8)4-11;1-13-6-3-4(9)2-5-7(6)8(10)12-11-5;1-2;/h2-3H,1H3;2-3H,1H3,(H3,10,11,12);1-2H2;1H2.
What are the key properties of 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate?
2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate has a molecular weight of 400.36 g/mol, XLogP of 1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-methoxybenzonitrile;6-fluoro-4-methoxy-1H-indazol-3-amine;hydrazine;hydrate is sourced from PubChem (CID 161225015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).