5-fluoro-2-isocyanopyridin-3-amine

C6H4FN3 — CID 164812774

IUPAC5-fluoro-2-isocyanopyridin-3-amine
SMILES[C-]#[N+]c1ncc(F)cc1N
InChIInChI=1S/C6H4FN3/c1-9-6-5(8)2-4(7)3-10-6/h2-3H,8H2
InChIKeyGOGUAINVTZGWRZ-UHFFFAOYSA-N
MW137.12 g/mol
LogP1.35
Rot. Bonds

About 5-fluoro-2-isocyanopyridin-3-amine

5-fluoro-2-isocyanopyridin-3-amine (PubChem CID 164812774) has the molecular formula C6H4FN3 and a molecular weight of 137.12 g/mol. Its IUPAC name is 5-fluoro-2-isocyanopyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-2-isocyanopyridin-3-amine
PubChem CID164812774
Molecular FormulaC6H4FN3
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name5-fluoro-2-isocyanopyridin-3-amine
SMILES[C-]#[N+]c1ncc(F)cc1N
InChIInChI=1S/C6H4FN3/c1-9-6-5(8)2-4(7)3-10-6/h2-3H,8H2
InChIKeyGOGUAINVTZGWRZ-UHFFFAOYSA-N
XLogP1.35
TPSA43.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-isocyanopyridin-3-amine?
The IUPAC name of 5-fluoro-2-isocyanopyridin-3-amine (CID 164812774) is 5-fluoro-2-isocyanopyridin-3-amine.
What is the SMILES notation for 5-fluoro-2-isocyanopyridin-3-amine?
The canonical SMILES for 5-fluoro-2-isocyanopyridin-3-amine is [C-]#[N+]c1ncc(F)cc1N.
What is the InChIKey of 5-fluoro-2-isocyanopyridin-3-amine?
The InChIKey is GOGUAINVTZGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3/c1-9-6-5(8)2-4(7)3-10-6/h2-3H,8H2.
What are the key properties of 5-fluoro-2-isocyanopyridin-3-amine?
5-fluoro-2-isocyanopyridin-3-amine has a molecular weight of 137.12 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-isocyanopyridin-3-amine is sourced from PubChem (CID 164812774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).