N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine

C10H11Cl2IN2 — CID 135344749

IUPACN-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine
SMILESCC(C)(C)/N=C/c1c(I)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2IN2/c1-10(2,3)14-5-6-7(13)4-8(11)15-9(6)12/h4-5H,1-3H3/b14-5+
InChIKeyVUARBUDQXUUCFI-LHHJGKSTSA-N
MW357.02 g/mol
LogP4.21
Rot. Bonds1

About N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine

N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine (PubChem CID 135344749) has the molecular formula C10H11Cl2IN2 and a molecular weight of 357.02 g/mol. Its IUPAC name is N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine
PubChem CID135344749
Molecular FormulaC10H11Cl2IN2
Molecular Weight357.02 g/mol
Exact Mass355.93
IUPAC NameN-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine
SMILESCC(C)(C)/N=C/c1c(I)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2IN2/c1-10(2,3)14-5-6-7(13)4-8(11)15-9(6)12/h4-5H,1-3H3/b14-5+
InChIKeyVUARBUDQXUUCFI-LHHJGKSTSA-N
XLogP4.21
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.02
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine (CID 135344749) is N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine is CC(C)(C)/N=C/c1c(I)cc(Cl)nc1Cl.
What is the InChIKey of N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine?
The InChIKey is VUARBUDQXUUCFI-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H11Cl2IN2/c1-10(2,3)14-5-6-7(13)4-8(11)15-9(6)12/h4-5H,1-3H3/b14-5+.
What are the key properties of N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine?
N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine has a molecular weight of 357.02 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,6-dichloro-4-iodo-3-pyridinyl)methanimine is sourced from PubChem (CID 135344749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).