1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol

C11H15ClN2O — CID 121280887

IUPAC1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol
SMILESNC(c1cccc(Cl)n1)C1(O)CCCC1
InChIInChI=1S/C11H15ClN2O/c12-9-5-3-4-8(14-9)10(13)11(15)6-1-2-7-11/h3-5,10,15H,1-2,6-7,13H2
InChIKeyIVUZXKWRWTVHCK-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.04
Rot. Bonds2

About 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol

1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol (PubChem CID 121280887) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol
PubChem CID121280887
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol
SMILESNC(c1cccc(Cl)n1)C1(O)CCCC1
InChIInChI=1S/C11H15ClN2O/c12-9-5-3-4-8(14-9)10(13)11(15)6-1-2-7-11/h3-5,10,15H,1-2,6-7,13H2
InChIKeyIVUZXKWRWTVHCK-UHFFFAOYSA-N
XLogP2.04
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol (CID 121280887) is 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol is NC(c1cccc(Cl)n1)C1(O)CCCC1.
What is the InChIKey of 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol?
The InChIKey is IVUZXKWRWTVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-9-5-3-4-8(14-9)10(13)11(15)6-1-2-7-11/h3-5,10,15H,1-2,6-7,13H2.
What are the key properties of 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol?
1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol has a molecular weight of 226.71 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 121280887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).