5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine

C9H13FN2O2 — CID 137387624

IUPAC5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine
SMILESCCOCOCc1cnc(N)c(F)c1
InChIInChI=1S/C9H13FN2O2/c1-2-13-6-14-5-7-3-8(10)9(11)12-4-7/h3-4H,2,5-6H2,1H3,(H2,11,12)
InChIKeyJYZLXNVADCHAPP-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.31
Rot. Bonds5

About 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine

5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine (PubChem CID 137387624) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine
PubChem CID137387624
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine
SMILESCCOCOCc1cnc(N)c(F)c1
InChIInChI=1S/C9H13FN2O2/c1-2-13-6-14-5-7-3-8(10)9(11)12-4-7/h3-4H,2,5-6H2,1H3,(H2,11,12)
InChIKeyJYZLXNVADCHAPP-UHFFFAOYSA-N
XLogP1.31
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine (CID 137387624) is 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine is CCOCOCc1cnc(N)c(F)c1.
What is the InChIKey of 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine?
The InChIKey is JYZLXNVADCHAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-2-13-6-14-5-7-3-8(10)9(11)12-4-7/h3-4H,2,5-6H2,1H3,(H2,11,12).
What are the key properties of 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine?
5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine has a molecular weight of 200.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethoxymethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 137387624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).