5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine

C11H14ClFN2 — CID 115766716

IUPAC5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1F)C1CCC1
InChIInChI=1S/C11H14ClFN2/c1-7(8-3-2-4-8)15-11-10(13)5-9(12)6-14-11/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyYPKCVLPYYUIMSO-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.47
Rot. Bonds3

About 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine

5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine (PubChem CID 115766716) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine
PubChem CID115766716
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1F)C1CCC1
InChIInChI=1S/C11H14ClFN2/c1-7(8-3-2-4-8)15-11-10(13)5-9(12)6-14-11/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyYPKCVLPYYUIMSO-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine (CID 115766716) is 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine is CC(Nc1ncc(Cl)cc1F)C1CCC1.
What is the InChIKey of 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine?
The InChIKey is YPKCVLPYYUIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-7(8-3-2-4-8)15-11-10(13)5-9(12)6-14-11/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine?
5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine has a molecular weight of 228.70 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 115766716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).