6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine

C8H10FIN2O — CID 66738361

IUPAC6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine
SMILESCOCCNc1cnc(F)cc1I
InChIInChI=1S/C8H10FIN2O/c1-13-3-2-11-7-5-12-8(9)4-6(7)10/h4-5,11H,2-3H2,1H3
InChIKeyPSIMSXMINSEGJJ-UHFFFAOYSA-N
MW296.08 g/mol
LogP1.88
Rot. Bonds4

About 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine

6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine (PubChem CID 66738361) has the molecular formula C8H10FIN2O and a molecular weight of 296.08 g/mol. Its IUPAC name is 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine
PubChem CID66738361
Molecular FormulaC8H10FIN2O
Molecular Weight296.08 g/mol
Exact Mass295.98
IUPAC Name6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine
SMILESCOCCNc1cnc(F)cc1I
InChIInChI=1S/C8H10FIN2O/c1-13-3-2-11-7-5-12-8(9)4-6(7)10/h4-5,11H,2-3H2,1H3
InChIKeyPSIMSXMINSEGJJ-UHFFFAOYSA-N
XLogP1.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine?
The IUPAC name of 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine (CID 66738361) is 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine is COCCNc1cnc(F)cc1I.
What is the InChIKey of 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine?
The InChIKey is PSIMSXMINSEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FIN2O/c1-13-3-2-11-7-5-12-8(9)4-6(7)10/h4-5,11H,2-3H2,1H3.
What are the key properties of 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine?
6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine has a molecular weight of 296.08 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine is sourced from PubChem (CID 66738361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).