(5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol

C9H11ClN2O — CID 177204633

IUPAC(5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol
SMILESN[C@H]1c2ccc(Cl)nc2CC[C@@H]1O
InChIInChI=1S/C9H11ClN2O/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1,4,7,9,13H,2-3,11H2/t7-,9-/m0/s1
InChIKeyFTEVNYGNVXJVLE-CBAPKCEASA-N
MW198.65 g/mol
LogP1.04
Rot. Bonds

About (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol

(5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol (PubChem CID 177204633) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol.

Molecular Properties

Compound Name(5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol
PubChem CID177204633
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name(5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol
SMILESN[C@H]1c2ccc(Cl)nc2CC[C@@H]1O
InChIInChI=1S/C9H11ClN2O/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1,4,7,9,13H,2-3,11H2/t7-,9-/m0/s1
InChIKeyFTEVNYGNVXJVLE-CBAPKCEASA-N
XLogP1.04
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.04
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 (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol?
The IUPAC name of (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol (CID 177204633) is (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol.
What is the SMILES notation for (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol?
The canonical SMILES for (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol is N[C@H]1c2ccc(Cl)nc2CC[C@@H]1O.
What is the InChIKey of (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol?
The InChIKey is FTEVNYGNVXJVLE-CBAPKCEASA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1,4,7,9,13H,2-3,11H2/t7-,9-/m0/s1.
What are the key properties of (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol?
(5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol has a molecular weight of 198.65 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-amino-2-chloro-5,6,7,8-tetrahydroquinolin-6-ol is sourced from PubChem (CID 177204633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).