6-fluoro-2-(methyliminomethyl)pyridin-3-amine

C7H8FN3 — CID 168895480

IUPAC6-fluoro-2-(methyliminomethyl)pyridin-3-amine
SMILESC/N=C/c1nc(F)ccc1N
InChIInChI=1S/C7H8FN3/c1-10-4-6-5(9)2-3-7(8)11-6/h2-4H,9H2,1H3/b10-4+
InChIKeyPHLSRAPZCVXCJL-ONNFQVAWSA-N
MW153.16 g/mol
LogP0.85
Rot. Bonds1

About 6-fluoro-2-(methyliminomethyl)pyridin-3-amine

6-fluoro-2-(methyliminomethyl)pyridin-3-amine (PubChem CID 168895480) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is 6-fluoro-2-(methyliminomethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-2-(methyliminomethyl)pyridin-3-amine
PubChem CID168895480
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name6-fluoro-2-(methyliminomethyl)pyridin-3-amine
SMILESC/N=C/c1nc(F)ccc1N
InChIInChI=1S/C7H8FN3/c1-10-4-6-5(9)2-3-7(8)11-6/h2-4H,9H2,1H3/b10-4+
InChIKeyPHLSRAPZCVXCJL-ONNFQVAWSA-N
XLogP0.85
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(methyliminomethyl)pyridin-3-amine?
The IUPAC name of 6-fluoro-2-(methyliminomethyl)pyridin-3-amine (CID 168895480) is 6-fluoro-2-(methyliminomethyl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-2-(methyliminomethyl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-2-(methyliminomethyl)pyridin-3-amine is C/N=C/c1nc(F)ccc1N.
What is the InChIKey of 6-fluoro-2-(methyliminomethyl)pyridin-3-amine?
The InChIKey is PHLSRAPZCVXCJL-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H8FN3/c1-10-4-6-5(9)2-3-7(8)11-6/h2-4H,9H2,1H3/b10-4+.
What are the key properties of 6-fluoro-2-(methyliminomethyl)pyridin-3-amine?
6-fluoro-2-(methyliminomethyl)pyridin-3-amine has a molecular weight of 153.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(methyliminomethyl)pyridin-3-amine is sourced from PubChem (CID 168895480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).