N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

C10H9F3N4O — CID 139983740

IUPACN'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCC(C#N)NNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H9F3N4O/c1-6(4-14)16-17-9(18)7-5-15-3-2-8(7)10(11,12)13/h2-3,5-6,16H,1H3,(H,17,18)
InChIKeyIIZIJHLGESTQQW-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.25
Rot. Bonds3

About N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 139983740) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID139983740
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC NameN'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCC(C#N)NNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H9F3N4O/c1-6(4-14)16-17-9(18)7-5-15-3-2-8(7)10(11,12)13/h2-3,5-6,16H,1H3,(H,17,18)
InChIKeyIIZIJHLGESTQQW-UHFFFAOYSA-N
XLogP1.25
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 139983740) is N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is CC(C#N)NNC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is IIZIJHLGESTQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6(4-14)16-17-9(18)7-5-15-3-2-8(7)10(11,12)13/h2-3,5-6,16H,1H3,(H,17,18).
What are the key properties of N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 258.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 139983740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).