bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene

C18H14F4I2N2 — CID 139178587

IUPACbis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESCc1ccncc1.Cc1ccncc1.Fc1c(F)c(I)c(F)c(F)c1I
InChIInChI=1S/C6F4I2.2C6H7N/c7-1-2(8)6(12)4(10)3(9)5(1)11;2*1-6-2-4-7-5-3-6/h;2*2-5H,1H3
InChIKeySLVLJZCAEGSUCQ-UHFFFAOYSA-N
MW588.12 g/mol
LogP6.23
Rot. Bonds

About bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene

bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene (PubChem CID 139178587) has the molecular formula C18H14F4I2N2 and a molecular weight of 588.12 g/mol. Its IUPAC name is bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene.

Molecular Properties

Compound Namebis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
PubChem CID139178587
Molecular FormulaC18H14F4I2N2
Molecular Weight588.12 g/mol
Exact Mass587.92
IUPAC Namebis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESCc1ccncc1.Cc1ccncc1.Fc1c(F)c(I)c(F)c(F)c1I
InChIInChI=1S/C6F4I2.2C6H7N/c7-1-2(8)6(12)4(10)3(9)5(1)11;2*1-6-2-4-7-5-3-6/h;2*2-5H,1H3
InChIKeySLVLJZCAEGSUCQ-UHFFFAOYSA-N
XLogP6.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.12
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
tetrakis(4-methylpyridine);nickel
CID 160730254
ethane;4-methylpyridine
CID 54305436
bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
deuterium monohydride;4-methylpyridine
CID 175130450
N,N-dimethylmethanamine;4-methylpyridine
CID 22155636
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine
CID 122210950
bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)
CID 139043462
(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride
CID 171377193
4-methylpyridine;sulfuric acid
CID 71383556
isocyanic acid;4-methylpyridine
CID 174958459

Frequently Asked Questions

What is the IUPAC name of bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The IUPAC name of bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene (CID 139178587) is bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene.
What is the SMILES notation for bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The canonical SMILES for bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene is Cc1ccncc1.Cc1ccncc1.Fc1c(F)c(I)c(F)c(F)c1I.
What is the InChIKey of bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The InChIKey is SLVLJZCAEGSUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4I2.2C6H7N/c7-1-2(8)6(12)4(10)3(9)5(1)11;2*1-6-2-4-7-5-3-6/h;2*2-5H,1H3.
What are the key properties of bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene has a molecular weight of 588.12 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene is sourced from PubChem (CID 139178587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).