2,3,5,6-tetrafluoropyridin-1-ium-4-amine

C5H3F4N2+ — CID 135790014

IUPAC2,3,5,6-tetrafluoropyridin-1-ium-4-amine
SMILESNc1c(F)c(F)[nH+]c(F)c1F
InChIInChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)/p+1
InChIKeyPLVFNMQHMRRBAA-UHFFFAOYSA-O
MW167.09 g/mol
LogP0.64
Rot. Bonds

About 2,3,5,6-tetrafluoropyridin-1-ium-4-amine

2,3,5,6-tetrafluoropyridin-1-ium-4-amine (PubChem CID 135790014) has the molecular formula C5H3F4N2+ and a molecular weight of 167.09 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoropyridin-1-ium-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoropyridin-1-ium-4-amine
PubChem CID135790014
Molecular FormulaC5H3F4N2+
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name2,3,5,6-tetrafluoropyridin-1-ium-4-amine
SMILESNc1c(F)c(F)[nH+]c(F)c1F
InChIInChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)/p+1
InChIKeyPLVFNMQHMRRBAA-UHFFFAOYSA-O
XLogP0.64
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-(3,4-diamino-2,5,6-trifluorophenyl)sulfanyl-3,5,6-trifluorobenzene-1,2-diamine
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2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline
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4-[2-(4-amino-2,3,5,6-tetrafluorophenyl)-1,1,1,3,3,3-hexachloropropan-2-yl]-2,3,5,6-tetrafluoroaniline
CID 18365782
3,5-difluoro-2,6-dimethoxypyridin-4-amine
CID 170648727
3-bromo-2,4,6-trifluoro-5-methylaniline
CID 77134473
4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline
CID 134575464
CID 174020290
CID 174020290
3-fluorobenzene-1,2,4-triamine
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2,4,5-trifluoro-3,6-dimethylaniline
CID 23359007

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoropyridin-1-ium-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoropyridin-1-ium-4-amine (CID 135790014) is 2,3,5,6-tetrafluoropyridin-1-ium-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoropyridin-1-ium-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoropyridin-1-ium-4-amine is Nc1c(F)c(F)[nH+]c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoropyridin-1-ium-4-amine?
The InChIKey is PLVFNMQHMRRBAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)/p+1.
What are the key properties of 2,3,5,6-tetrafluoropyridin-1-ium-4-amine?
2,3,5,6-tetrafluoropyridin-1-ium-4-amine has a molecular weight of 167.09 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoropyridin-1-ium-4-amine is sourced from PubChem (CID 135790014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).