(3-fluoro-6-iodo-2-pyridinyl)methanamine

C6H6FIN2 — CID 130926038

IUPAC(3-fluoro-6-iodo-2-pyridinyl)methanamine
SMILESNCc1nc(I)ccc1F
InChIInChI=1S/C6H6FIN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H,3,9H2
InChIKeyCQJTVEIHKABYGF-UHFFFAOYSA-N
MW252.03 g/mol
LogP1.28
Rot. Bonds1

About (3-fluoro-6-iodo-2-pyridinyl)methanamine

(3-fluoro-6-iodo-2-pyridinyl)methanamine (PubChem CID 130926038) has the molecular formula C6H6FIN2 and a molecular weight of 252.03 g/mol. Its IUPAC name is (3-fluoro-6-iodo-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-6-iodo-2-pyridinyl)methanamine
PubChem CID130926038
Molecular FormulaC6H6FIN2
Molecular Weight252.03 g/mol
Exact Mass251.96
IUPAC Name(3-fluoro-6-iodo-2-pyridinyl)methanamine
SMILESNCc1nc(I)ccc1F
InChIInChI=1S/C6H6FIN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H,3,9H2
InChIKeyCQJTVEIHKABYGF-UHFFFAOYSA-N
XLogP1.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-fluoro-6-iodo-2-pyridinyl)methanamine?
The IUPAC name of (3-fluoro-6-iodo-2-pyridinyl)methanamine (CID 130926038) is (3-fluoro-6-iodo-2-pyridinyl)methanamine.
What is the SMILES notation for (3-fluoro-6-iodo-2-pyridinyl)methanamine?
The canonical SMILES for (3-fluoro-6-iodo-2-pyridinyl)methanamine is NCc1nc(I)ccc1F.
What is the InChIKey of (3-fluoro-6-iodo-2-pyridinyl)methanamine?
The InChIKey is CQJTVEIHKABYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H,3,9H2.
What are the key properties of (3-fluoro-6-iodo-2-pyridinyl)methanamine?
(3-fluoro-6-iodo-2-pyridinyl)methanamine has a molecular weight of 252.03 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-6-iodo-2-pyridinyl)methanamine is sourced from PubChem (CID 130926038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).