2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide

C9H7F6N3O — CID 102722319

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6N3O/c10-8(11,12)7(9(13,14)15)19-5-3-4(6(16)17)1-2-18-5/h1-3,7H,(H3,16,17)
InChIKeyKEGTVTQPBWIKOQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.24
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide (PubChem CID 102722319) has the molecular formula C9H7F6N3O and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide
PubChem CID102722319
Molecular FormulaC9H7F6N3O
Molecular Weight287.16 g/mol
Exact Mass287.05
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6N3O/c10-8(11,12)7(9(13,14)15)19-5-3-4(6(16)17)1-2-18-5/h1-3,7H,(H3,16,17)
InChIKeyKEGTVTQPBWIKOQ-UHFFFAOYSA-N
XLogP2.24
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 43150625
2-(trifluoromethyl)pyridine-4-carboximidamide
CID 119009176
(4-carbamimidoyl-2-pyridinyl) 2-chloroacetate
CID 88937782
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
CID 43123451
2-(furan-2-ylmethoxy)pyridine-4-carboximidamide
CID 24705015
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 103174853
2-[(2-chlorophenyl)methoxy]pyridine-4-carboximidamide
CID 24709387
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 64602153
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboximidamide
CID 81346153
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide (CID 102722319) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OC(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide?
The InChIKey is KEGTVTQPBWIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3O/c10-8(11,12)7(9(13,14)15)19-5-3-4(6(16)17)1-2-18-5/h1-3,7H,(H3,16,17).
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide has a molecular weight of 287.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide is sourced from PubChem (CID 102722319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).