pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene

C11H6F4I2N2 — CID 139202621

IUPACpyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.Nc1cccnc1
InChIInChI=1S/C6F4I2.C5H6N2/c7-1-2(8)6(12)4(10)3(9)5(1)11;6-5-2-1-3-7-4-5/h;1-4H,6H2
InChIKeyZYWJCZPFQKTOPN-UHFFFAOYSA-N
MW495.98 g/mol
LogP4.12
Rot. Bonds

About pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene

pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene (PubChem CID 139202621) has the molecular formula C11H6F4I2N2 and a molecular weight of 495.98 g/mol. Its IUPAC name is pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene.

Molecular Properties

Compound Namepyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
PubChem CID139202621
Molecular FormulaC11H6F4I2N2
Molecular Weight495.98 g/mol
Exact Mass495.86
IUPAC Namepyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.Nc1cccnc1
InChIInChI=1S/C6F4I2.C5H6N2/c7-1-2(8)6(12)4(10)3(9)5(1)11;6-5-2-1-3-7-4-5/h;1-4H,6H2
InChIKeyZYWJCZPFQKTOPN-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.98
LogP ≤ 54.12
H-Bond Donors ≤ 51
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

iron;pyridin-3-amine
CID 174751178
bis(pyridin-3-amine);hydrate
CID 172803625
hydrogen peroxide;pyridin-3-amine
CID 87884226
molecular hydrogen;propane;pyridin-3-amine
CID 156868620
tetrakis(1,2,4,5-tetrafluoro-3,6-diiodobenzene);bis(3-[4-[1,2,2-tris(4-pyridin-3-ylphenyl)ethenyl]phenyl]pyridine)
CID 139196956
ethane;2-methylpyridine;pyridin-3-amine
CID 143747996
dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)
CID 139196794
3-(18F)fluoropyridine
CID 24871782
copper;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(pyridin-3-amine);diperchlorate
CID 139059899
3-(5-fluoro-2-iodo-3-pyridin-3-ylphenyl)pyridine
CID 46316519
bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139178587
3-methylbutanoic acid;pyridin-3-amine
CID 143630380

Frequently Asked Questions

What is the IUPAC name of pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The IUPAC name of pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene (CID 139202621) is pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene.
What is the SMILES notation for pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The canonical SMILES for pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene is Fc1c(F)c(I)c(F)c(F)c1I.Nc1cccnc1.
What is the InChIKey of pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The InChIKey is ZYWJCZPFQKTOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4I2.C5H6N2/c7-1-2(8)6(12)4(10)3(9)5(1)11;6-5-2-1-3-7-4-5/h;1-4H,6H2.
What are the key properties of pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene?
pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene has a molecular weight of 495.98 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene is sourced from PubChem (CID 139202621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).