1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol

C9H11ClN2O — CID 156539496

IUPAC1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol
SMILESNc1cnc(C2(O)CCC2)c(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-7-4-6(11)5-12-8(7)9(13)2-1-3-9/h4-5,13H,1-3,11H2
InChIKeyCCPLDOMOESHKHI-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.69
Rot. Bonds1

About 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol

1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol (PubChem CID 156539496) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol
PubChem CID156539496
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol
SMILESNc1cnc(C2(O)CCC2)c(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-7-4-6(11)5-12-8(7)9(13)2-1-3-9/h4-5,13H,1-3,11H2
InChIKeyCCPLDOMOESHKHI-UHFFFAOYSA-N
XLogP1.69
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol?
The IUPAC name of 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol (CID 156539496) is 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol?
The canonical SMILES for 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol is Nc1cnc(C2(O)CCC2)c(Cl)c1.
What is the InChIKey of 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol?
The InChIKey is CCPLDOMOESHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-4-6(11)5-12-8(7)9(13)2-1-3-9/h4-5,13H,1-3,11H2.
What are the key properties of 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol?
1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol has a molecular weight of 198.65 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-chloro-2-pyridinyl)cyclobutan-1-ol is sourced from PubChem (CID 156539496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).