N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine

C9H8I2N2 — CID 129258654

IUPACN-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine
SMILESC=N/C=C\c1c(C)cc(I)nc1I
InChIInChI=1S/C9H8I2N2/c1-6-5-8(10)13-9(11)7(6)3-4-12-2/h3-5H,2H2,1H3/b4-3-
InChIKeyQKNZTXRLNVDURX-ARJAWSKDSA-N
MW397.99 g/mol
LogP3.27
Rot. Bonds2

About N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine

N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine (PubChem CID 129258654) has the molecular formula C9H8I2N2 and a molecular weight of 397.99 g/mol. Its IUPAC name is N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine
PubChem CID129258654
Molecular FormulaC9H8I2N2
Molecular Weight397.99 g/mol
Exact Mass397.88
IUPAC NameN-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine
SMILESC=N/C=C\c1c(C)cc(I)nc1I
InChIInChI=1S/C9H8I2N2/c1-6-5-8(10)13-9(11)7(6)3-4-12-2/h3-5H,2H2,1H3/b4-3-
InChIKeyQKNZTXRLNVDURX-ARJAWSKDSA-N
XLogP3.27
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.99
LogP ≤ 53.27
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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Related Compounds

3,6-diiodo-2,4-dimethylpyridine
CID 155467914
[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid
CID 143770565
4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one
CID 137282295
N-[(Z)-2-(2-methylphenyl)ethenyl]methanimine
CID 129049120
6-iodo-2,4-dimethylpyridin-3-amine
CID 130295426
2,3-difluoro-6,7-dimethylquinoxaline
CID 10726458
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
6-iodo-2,4-dimethylpyridine-3-carbonitrile
CID 89146475
2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
CID 119006944
3-ethenyl-4,6-dimethylpyridin-2-amine
CID 74888687
N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847202
3-bromo-6-iodo-4-methylpyridazine
CID 133061961

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine (CID 129258654) is N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine is C=N/C=C\c1c(C)cc(I)nc1I.
What is the InChIKey of N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine?
The InChIKey is QKNZTXRLNVDURX-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H8I2N2/c1-6-5-8(10)13-9(11)7(6)3-4-12-2/h3-5H,2H2,1H3/b4-3-.
What are the key properties of N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine?
N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine has a molecular weight of 397.99 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine is sourced from PubChem (CID 129258654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).