N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

C10H12Cl2N2O — CID 54757540

IUPACN-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)7(3)14(15)10-9(12)4-8(11)5-13-10/h4-5,7,15H,1H2,2-3H3
InChIKeyPFDVCIQKGPMISQ-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.55
Rot. Bonds3

About N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (PubChem CID 54757540) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
PubChem CID54757540
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)7(3)14(15)10-9(12)4-8(11)5-13-10/h4-5,7,15H,1H2,2-3H3
InChIKeyPFDVCIQKGPMISQ-UHFFFAOYSA-N
XLogP3.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.55
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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Related Compounds

CID 77886
CID 77886
CID 11959098
CID 11959098
CID 23423792
CID 23423792
CID 350232
CID 350232
CID 44523105
CID 44523105
CID 44297829
CID 44297829
CID 48877
CID 48877
CID 37398
CID 37398
CID 1477083
CID 1477083
CID 54669840
CID 54669840
CID 54757424
CID 54757424
CID 54757536
CID 54757536

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (CID 54757540) is N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is C=C(C)C(C)N(O)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The InChIKey is PFDVCIQKGPMISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(2)7(3)14(15)10-9(12)4-8(11)5-13-10/h4-5,7,15H,1H2,2-3H3.
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine has a molecular weight of 247.12 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is sourced from PubChem (CID 54757540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).