N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine

C11H12ClF3N2O — CID 54757641

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-6(2)7(3)17(18)10-9(12)4-8(5-16-10)11(13,14)15/h4-5,7,18H,1H2,2-3H3
InChIKeyUTUSSEJEWHFWQY-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.91
Rot. Bonds3

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine (PubChem CID 54757641) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine
PubChem CID54757641
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-6(2)7(3)17(18)10-9(12)4-8(5-16-10)11(13,14)15/h4-5,7,18H,1H2,2-3H3
InChIKeyUTUSSEJEWHFWQY-UHFFFAOYSA-N
XLogP3.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine (CID 54757641) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine is C=C(C)C(C)N(O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The InChIKey is UTUSSEJEWHFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-6(2)7(3)17(18)10-9(12)4-8(5-16-10)11(13,14)15/h4-5,7,18H,1H2,2-3H3.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine has a molecular weight of 280.68 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbut-3-en-2-yl)hydroxylamine is sourced from PubChem (CID 54757641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).