1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol

C12H17ClN2O — CID 139580446

IUPAC1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol
SMILESCC(O)c1cnc(Cl)cc1NC1CCCC1
InChIInChI=1S/C12H17ClN2O/c1-8(16)10-7-14-12(13)6-11(10)15-9-4-2-3-5-9/h6-9,16H,2-5H2,1H3,(H,14,15)
InChIKeyNGSASMCMOMZSIJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.14
Rot. Bonds3

About 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol

1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol (PubChem CID 139580446) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol
PubChem CID139580446
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol
SMILESCC(O)c1cnc(Cl)cc1NC1CCCC1
InChIInChI=1S/C12H17ClN2O/c1-8(16)10-7-14-12(13)6-11(10)15-9-4-2-3-5-9/h6-9,16H,2-5H2,1H3,(H,14,15)
InChIKeyNGSASMCMOMZSIJ-UHFFFAOYSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.14
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-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol (CID 139580446) is 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol is CC(O)c1cnc(Cl)cc1NC1CCCC1.
What is the InChIKey of 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol?
The InChIKey is NGSASMCMOMZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(16)10-7-14-12(13)6-11(10)15-9-4-2-3-5-9/h6-9,16H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol?
1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol has a molecular weight of 240.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol is sourced from PubChem (CID 139580446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).