2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane

C16H22F2N6 — CID 142468138

IUPAC2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane
SMILESCC.CC(F)(F)c1ccc(Nc2ncccc2/C(N)=N/NN)cc1
InChIInChI=1S/C14H16F2N6.C2H6/c1-14(15,16)9-4-6-10(7-5-9)20-13-11(3-2-8-19-13)12(17)21-22-18;1-2/h2-8,22H,18H2,1H3,(H2,17,21)(H,19,20);1-2H3
InChIKeyBLEFVFGIVRXPNB-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.05
Rot. Bonds5

About 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane

2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane (PubChem CID 142468138) has the molecular formula C16H22F2N6 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane
PubChem CID142468138
Molecular FormulaC16H22F2N6
Molecular Weight336.39 g/mol
Exact Mass336.19
IUPAC Name2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane
SMILESCC.CC(F)(F)c1ccc(Nc2ncccc2/C(N)=N/NN)cc1
InChIInChI=1S/C14H16F2N6.C2H6/c1-14(15,16)9-4-6-10(7-5-9)20-13-11(3-2-8-19-13)12(17)21-22-18;1-2/h2-8,22H,18H2,1H3,(H2,17,21)(H,19,20);1-2H3
InChIKeyBLEFVFGIVRXPNB-UHFFFAOYSA-N
XLogP3.05
TPSA101.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane?
The IUPAC name of 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane (CID 142468138) is 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane is CC.CC(F)(F)c1ccc(Nc2ncccc2/C(N)=N/NN)cc1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane?
The InChIKey is BLEFVFGIVRXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6.C2H6/c1-14(15,16)9-4-6-10(7-5-9)20-13-11(3-2-8-19-13)12(17)21-22-18;1-2/h2-8,22H,18H2,1H3,(H2,17,21)(H,19,20);1-2H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane?
2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane has a molecular weight of 336.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane is sourced from PubChem (CID 142468138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).