1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine

C10H11Cl2N3O2 — CID 59967580

IUPAC1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine
SMILESCO/N=C(C)/C(=N/OC)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N3O2/c1-6(14-16-2)9(15-17-3)7-4-8(11)10(12)13-5-7/h4-5H,1-3H3/b14-6+,15-9-
InChIKeyAWHDSFHWMMHBMI-JCNUHIKCSA-N
MW276.12 g/mol
LogP2.76
Rot. Bonds4

About 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine

1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine (PubChem CID 59967580) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine.

Molecular Properties

Compound Name1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine
PubChem CID59967580
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine
SMILESCO/N=C(C)/C(=N/OC)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N3O2/c1-6(14-16-2)9(15-17-3)7-4-8(11)10(12)13-5-7/h4-5H,1-3H3/b14-6+,15-9-
InChIKeyAWHDSFHWMMHBMI-JCNUHIKCSA-N
XLogP2.76
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
The IUPAC name of 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine (CID 59967580) is 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine.
What is the SMILES notation for 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
The canonical SMILES for 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine is CO/N=C(C)/C(=N/OC)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
The InChIKey is AWHDSFHWMMHBMI-JCNUHIKCSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-6(14-16-2)9(15-17-3)7-4-8(11)10(12)13-5-7/h4-5H,1-3H3/b14-6+,15-9-.
What are the key properties of 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine has a molecular weight of 276.12 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine is sourced from PubChem (CID 59967580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).