6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide

C12H16F3N3O2 — CID 81319175

IUPAC6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide
SMILESNNC(=O)CCCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)9-5-4-7-11(20)18(9)8-3-1-2-6-10(19)17-16/h4-5,7H,1-3,6,8,16H2,(H,17,19)
InChIKeyCJJPGOZAGSMMEE-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.42
Rot. Bonds6

About 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide

6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide (PubChem CID 81319175) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide.

Molecular Properties

Compound Name6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide
PubChem CID81319175
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide
SMILESNNC(=O)CCCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)9-5-4-7-11(20)18(9)8-3-1-2-6-10(19)17-16/h4-5,7H,1-3,6,8,16H2,(H,17,19)
InChIKeyCJJPGOZAGSMMEE-UHFFFAOYSA-N
XLogP1.42
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]hexanehydrazide
CID 64295216
3-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 81318914
4-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]butanehydrazide
CID 81319044
5-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
CID 81319288
11-(2-Methylidene-5-oxopyrrol-1-yl)undecanehydrazide
CID 89220659
6-(2-Methylidene-5-oxopyrrol-1-yl)hexanehydrazide
CID 122551435
N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide
CID 167207564
5-(2-Methyl-6-oxo-1-pyridinyl)pentanehydrazide
CID 63577254
6-(2-Oxo-1-pyridinyl)hexanehydrazide
CID 64291465
6-(2-Methyl-6-oxo-1-pyridinyl)hexanehydrazide
CID 64294075
6-(3-Methyl-2-oxo-1-pyridinyl)hexanehydrazide
CID 64295616

Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide?
The IUPAC name of 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide (CID 81319175) is 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide.
What is the SMILES notation for 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide?
The canonical SMILES for 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide is NNC(=O)CCCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide?
The InChIKey is CJJPGOZAGSMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)9-5-4-7-11(20)18(9)8-3-1-2-6-10(19)17-16/h4-5,7H,1-3,6,8,16H2,(H,17,19).
What are the key properties of 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide?
6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide has a molecular weight of 291.27 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide is sourced from PubChem (CID 81319175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).