5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine

C11H14ClFN2O — CID 102609279

IUPAC5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine
SMILESCCOC1CC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C11H14ClFN2O/c1-2-16-9-4-8(5-9)15-11-10(13)3-7(12)6-14-11/h3,6,8-9H,2,4-5H2,1H3,(H,14,15)
InChIKeyQITOOXUTQXZICX-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine

5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine (PubChem CID 102609279) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine
PubChem CID102609279
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine
SMILESCCOC1CC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C11H14ClFN2O/c1-2-16-9-4-8(5-9)15-11-10(13)3-7(12)6-14-11/h3,6,8-9H,2,4-5H2,1H3,(H,14,15)
InChIKeyQITOOXUTQXZICX-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine (CID 102609279) is 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine is CCOC1CC(Nc2ncc(Cl)cc2F)C1.
What is the InChIKey of 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine?
The InChIKey is QITOOXUTQXZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-16-9-4-8(5-9)15-11-10(13)3-7(12)6-14-11/h3,6,8-9H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine?
5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine has a molecular weight of 244.70 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 102609279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).