N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine

C11H11ClF3N3O — CID 3724710

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H11ClF3N3O/c12-9-5-7(11(13,14)15)6-16-10(9)18-3-1-8(17-19)2-4-18/h5-6,19H,1-4H2
InChIKeySGGZOAMFHBBQNJ-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.18
Rot. Bonds1

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 3724710) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine
PubChem CID3724710
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H11ClF3N3O/c12-9-5-7(11(13,14)15)6-16-10(9)18-3-1-8(17-19)2-4-18/h5-6,19H,1-4H2
InChIKeySGGZOAMFHBBQNJ-UHFFFAOYSA-N
XLogP3.18
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine (CID 3724710) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine is ON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is SGGZOAMFHBBQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c12-9-5-7(11(13,14)15)6-16-10(9)18-3-1-8(17-19)2-4-18/h5-6,19H,1-4H2.
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 293.68 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 3724710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).