6-fluoropyridine-2,5-diamine

C5H6FN3 — CID 130865020

IUPAC6-fluoropyridine-2,5-diamine
SMILESNc1ccc(N)c(F)n1
InChIInChI=1S/C5H6FN3/c6-5-3(7)1-2-4(8)9-5/h1-2H,7H2,(H2,8,9)
InChIKeyMJLVOCJBGHVRHH-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.39
Rot. Bonds

About 6-fluoropyridine-2,5-diamine

6-fluoropyridine-2,5-diamine (PubChem CID 130865020) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is 6-fluoropyridine-2,5-diamine.

Molecular Properties

Compound Name6-fluoropyridine-2,5-diamine
PubChem CID130865020
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name6-fluoropyridine-2,5-diamine
SMILESNc1ccc(N)c(F)n1
InChIInChI=1S/C5H6FN3/c6-5-3(7)1-2-4(8)9-5/h1-2H,7H2,(H2,8,9)
InChIKeyMJLVOCJBGHVRHH-UHFFFAOYSA-N
XLogP0.39
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoropyridine-2,5-diamine?
The IUPAC name of 6-fluoropyridine-2,5-diamine (CID 130865020) is 6-fluoropyridine-2,5-diamine.
What is the SMILES notation for 6-fluoropyridine-2,5-diamine?
The canonical SMILES for 6-fluoropyridine-2,5-diamine is Nc1ccc(N)c(F)n1.
What is the InChIKey of 6-fluoropyridine-2,5-diamine?
The InChIKey is MJLVOCJBGHVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c6-5-3(7)1-2-4(8)9-5/h1-2H,7H2,(H2,8,9).
What are the key properties of 6-fluoropyridine-2,5-diamine?
6-fluoropyridine-2,5-diamine has a molecular weight of 127.12 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyridine-2,5-diamine is sourced from PubChem (CID 130865020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).