5-chloro-4-cyclobutyloxypyridin-2-amine

C9H11ClN2O — CID 170715785

IUPAC5-chloro-4-cyclobutyloxypyridin-2-amine
SMILESNc1cc(OC2CCC2)c(Cl)cn1
InChIInChI=1S/C9H11ClN2O/c10-7-5-12-9(11)4-8(7)13-6-2-1-3-6/h4-6H,1-3H2,(H2,11,12)
InChIKeyUCKDDZYTUKHADH-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.25
Rot. Bonds2

About 5-chloro-4-cyclobutyloxypyridin-2-amine

5-chloro-4-cyclobutyloxypyridin-2-amine (PubChem CID 170715785) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-chloro-4-cyclobutyloxypyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-cyclobutyloxypyridin-2-amine
PubChem CID170715785
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name5-chloro-4-cyclobutyloxypyridin-2-amine
SMILESNc1cc(OC2CCC2)c(Cl)cn1
InChIInChI=1S/C9H11ClN2O/c10-7-5-12-9(11)4-8(7)13-6-2-1-3-6/h4-6H,1-3H2,(H2,11,12)
InChIKeyUCKDDZYTUKHADH-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclobutyloxypyridin-2-amine?
The IUPAC name of 5-chloro-4-cyclobutyloxypyridin-2-amine (CID 170715785) is 5-chloro-4-cyclobutyloxypyridin-2-amine.
What is the SMILES notation for 5-chloro-4-cyclobutyloxypyridin-2-amine?
The canonical SMILES for 5-chloro-4-cyclobutyloxypyridin-2-amine is Nc1cc(OC2CCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-cyclobutyloxypyridin-2-amine?
The InChIKey is UCKDDZYTUKHADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-5-12-9(11)4-8(7)13-6-2-1-3-6/h4-6H,1-3H2,(H2,11,12).
What are the key properties of 5-chloro-4-cyclobutyloxypyridin-2-amine?
5-chloro-4-cyclobutyloxypyridin-2-amine has a molecular weight of 198.65 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclobutyloxypyridin-2-amine is sourced from PubChem (CID 170715785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).