6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine

C9H12FIN2O2 — CID 163884303

IUPAC6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine
SMILESC=Ic1cc(OCCOC)c(F)nc1N
InChIInChI=1S/C9H12FIN2O2/c1-11-6-5-7(15-4-3-14-2)8(10)13-9(6)12/h5H,1,3-4H2,2H3,(H2,12,13)
InChIKeyPWACVIVDKSRHNW-UHFFFAOYSA-N
MW326.11 g/mol
LogP1.40
Rot. Bonds5

About 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine

6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine (PubChem CID 163884303) has the molecular formula C9H12FIN2O2 and a molecular weight of 326.11 g/mol. Its IUPAC name is 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine
PubChem CID163884303
Molecular FormulaC9H12FIN2O2
Molecular Weight326.11 g/mol
Exact Mass325.99
IUPAC Name6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine
SMILESC=Ic1cc(OCCOC)c(F)nc1N
InChIInChI=1S/C9H12FIN2O2/c1-11-6-5-7(15-4-3-14-2)8(10)13-9(6)12/h5H,1,3-4H2,2H3,(H2,12,13)
InChIKeyPWACVIVDKSRHNW-UHFFFAOYSA-N
XLogP1.40
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine (CID 163884303) is 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine is C=Ic1cc(OCCOC)c(F)nc1N.
What is the InChIKey of 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine?
The InChIKey is PWACVIVDKSRHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN2O2/c1-11-6-5-7(15-4-3-14-2)8(10)13-9(6)12/h5H,1,3-4H2,2H3,(H2,12,13).
What are the key properties of 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine?
6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine has a molecular weight of 326.11 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(2-methoxyethoxy)-3-(methylidene-λ3-iodanyl)pyridin-2-amine is sourced from PubChem (CID 163884303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).