2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol

C12H17ClN2O — CID 115656377

IUPAC2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCc1cccnc1Cl
InChIInChI=1S/C12H17ClN2O/c13-12-10(4-2-6-15-12)8-14-7-9-3-1-5-11(9)16/h2,4,6,9,11,14,16H,1,3,5,7-8H2
InChIKeyXOWPXRXQGFKTEY-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.99
Rot. Bonds4

About 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol

2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 115656377) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID115656377
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCc1cccnc1Cl
InChIInChI=1S/C12H17ClN2O/c13-12-10(4-2-6-15-12)8-14-7-9-3-1-5-11(9)16/h2,4,6,9,11,14,16H,1,3,5,7-8H2
InChIKeyXOWPXRXQGFKTEY-UHFFFAOYSA-N
XLogP1.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.99
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 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol (CID 115656377) is 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol is OC1CCCC1CNCc1cccnc1Cl.
What is the InChIKey of 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is XOWPXRXQGFKTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-12-10(4-2-6-15-12)8-14-7-9-3-1-5-11(9)16/h2,4,6,9,11,14,16H,1,3,5,7-8H2.
What are the key properties of 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115656377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).