N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine

C10H13ClN2O — CID 174538747

IUPACN-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine
SMILESCC(C)CC=NOc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-8(2)5-6-13-14-9-3-4-10(11)12-7-9/h3-4,6-8H,5H2,1-2H3
InChIKeyDMNKJLHZALDIEL-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.15
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine

N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine (PubChem CID 174538747) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine
PubChem CID174538747
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine
SMILESCC(C)CC=NOc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-8(2)5-6-13-14-9-3-4-10(11)12-7-9/h3-4,6-8H,5H2,1-2H3
InChIKeyDMNKJLHZALDIEL-UHFFFAOYSA-N
XLogP3.15
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_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-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine (CID 174538747) is N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine is CC(C)CC=NOc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine?
The InChIKey is DMNKJLHZALDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8(2)5-6-13-14-9-3-4-10(11)12-7-9/h3-4,6-8H,5H2,1-2H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine?
N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine has a molecular weight of 212.68 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine is sourced from PubChem (CID 174538747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).