[6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol

C11H15ClN2O — CID 155458622

IUPAC[6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1NC1CCCC1
InChIInChI=1S/C11H15ClN2O/c12-10-6-5-8(7-15)11(14-10)13-9-3-1-2-4-9/h5-6,9,15H,1-4,7H2,(H,13,14)
InChIKeyLLCHOAGNJWZICL-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.58
Rot. Bonds3

About [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol

[6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol (PubChem CID 155458622) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol
PubChem CID155458622
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1NC1CCCC1
InChIInChI=1S/C11H15ClN2O/c12-10-6-5-8(7-15)11(14-10)13-9-3-1-2-4-9/h5-6,9,15H,1-4,7H2,(H,13,14)
InChIKeyLLCHOAGNJWZICL-UHFFFAOYSA-N
XLogP2.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.58
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 [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol?
The IUPAC name of [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol (CID 155458622) is [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol?
The canonical SMILES for [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol is OCc1ccc(Cl)nc1NC1CCCC1.
What is the InChIKey of [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol?
The InChIKey is LLCHOAGNJWZICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-6-5-8(7-15)11(14-10)13-9-3-1-2-4-9/h5-6,9,15H,1-4,7H2,(H,13,14).
What are the key properties of [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol?
[6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol has a molecular weight of 226.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 155458622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).