N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine

C8H9F4N3 — CID 21271642

IUPACN'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine
SMILESNCCNCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8H9F4N3/c9-5-4(3-14-2-1-13)6(10)8(12)15-7(5)11/h14H,1-3,13H2
InChIKeyUXTKHOGVMWLKIK-UHFFFAOYSA-N
MW223.17 g/mol
LogP0.69
Rot. Bonds4

About N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine

N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 21271642) has the molecular formula C8H9F4N3 and a molecular weight of 223.17 g/mol. Its IUPAC name is N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID21271642
Molecular FormulaC8H9F4N3
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC NameN'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine
SMILESNCCNCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8H9F4N3/c9-5-4(3-14-2-1-13)6(10)8(12)15-7(5)11/h14H,1-3,13H2
InChIKeyUXTKHOGVMWLKIK-UHFFFAOYSA-N
XLogP0.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 4561709
CID 4561709
CID 55253535
CID 55253535
CID 11615416
CID 11615416
CID 14092720
CID 14092720
CID 21271640
CID 21271640
CID 21290587
CID 21290587
CID 22277803
CID 22277803
CID 23147801
CID 23147801
CID 55267960
CID 55267960
CID 57723155
CID 57723155
CID 69243658
CID 69243658
CID 69342492
CID 69342492

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine (CID 21271642) is N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine is NCCNCc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is UXTKHOGVMWLKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3/c9-5-4(3-14-2-1-13)6(10)8(12)15-7(5)11/h14H,1-3,13H2.
What are the key properties of N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine?
N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 223.17 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 21271642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).