5-N-butyl-3-fluoropyridine-2,5-diamine

C9H14FN3 — CID 146642844

IUPAC5-N-butyl-3-fluoropyridine-2,5-diamine
SMILESCCCCNc1cnc(N)c(F)c1
InChIInChI=1S/C9H14FN3/c1-2-3-4-12-7-5-8(10)9(11)13-6-7/h5-6,12H,2-4H2,1H3,(H2,11,13)
InChIKeySJODOWQUZVVXJB-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.01
Rot. Bonds4

About 5-N-butyl-3-fluoropyridine-2,5-diamine

5-N-butyl-3-fluoropyridine-2,5-diamine (PubChem CID 146642844) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-N-butyl-3-fluoropyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-butyl-3-fluoropyridine-2,5-diamine
PubChem CID146642844
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name5-N-butyl-3-fluoropyridine-2,5-diamine
SMILESCCCCNc1cnc(N)c(F)c1
InChIInChI=1S/C9H14FN3/c1-2-3-4-12-7-5-8(10)9(11)13-6-7/h5-6,12H,2-4H2,1H3,(H2,11,13)
InChIKeySJODOWQUZVVXJB-UHFFFAOYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-fluoropyridine-2,5-diamine?
The IUPAC name of 5-N-butyl-3-fluoropyridine-2,5-diamine (CID 146642844) is 5-N-butyl-3-fluoropyridine-2,5-diamine.
What is the SMILES notation for 5-N-butyl-3-fluoropyridine-2,5-diamine?
The canonical SMILES for 5-N-butyl-3-fluoropyridine-2,5-diamine is CCCCNc1cnc(N)c(F)c1.
What is the InChIKey of 5-N-butyl-3-fluoropyridine-2,5-diamine?
The InChIKey is SJODOWQUZVVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-2-3-4-12-7-5-8(10)9(11)13-6-7/h5-6,12H,2-4H2,1H3,(H2,11,13).
What are the key properties of 5-N-butyl-3-fluoropyridine-2,5-diamine?
5-N-butyl-3-fluoropyridine-2,5-diamine has a molecular weight of 183.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-fluoropyridine-2,5-diamine is sourced from PubChem (CID 146642844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).