2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine

C12H12F2IN3 — CID 70281554

IUPAC2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine
SMILESCc1cc(I)cnc1F.Cc1cc(N)cnc1F
InChIInChI=1S/C6H5FIN.C6H7FN2/c2*1-4-2-5(8)3-9-6(4)7/h2-3H,1H3;2-3H,8H2,1H3
InChIKeyFWGJDRWJVFYBSG-UHFFFAOYSA-N
MW363.15 g/mol
LogP3.25
Rot. Bonds

About 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine

2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine (PubChem CID 70281554) has the molecular formula C12H12F2IN3 and a molecular weight of 363.15 g/mol. Its IUPAC name is 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine
PubChem CID70281554
Molecular FormulaC12H12F2IN3
Molecular Weight363.15 g/mol
Exact Mass363.00
IUPAC Name2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine
SMILESCc1cc(I)cnc1F.Cc1cc(N)cnc1F
InChIInChI=1S/C6H5FIN.C6H7FN2/c2*1-4-2-5(8)3-9-6(4)7/h2-3H,1H3;2-3H,8H2,1H3
InChIKeyFWGJDRWJVFYBSG-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine?
The IUPAC name of 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine (CID 70281554) is 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine.
What is the SMILES notation for 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine?
The canonical SMILES for 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine is Cc1cc(I)cnc1F.Cc1cc(N)cnc1F.
What is the InChIKey of 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine?
The InChIKey is FWGJDRWJVFYBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FIN.C6H7FN2/c2*1-4-2-5(8)3-9-6(4)7/h2-3H,1H3;2-3H,8H2,1H3.
What are the key properties of 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine?
2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine has a molecular weight of 363.15 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine is sourced from PubChem (CID 70281554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).