(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride

C10H15ClN2O — CID 45261062

IUPAC(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride
SMILESCl.N[C@@H]1CCCc2cccnc2[C@@H]1O
InChIInChI=1S/C10H14N2O.ClH/c11-8-5-1-3-7-4-2-6-12-9(7)10(8)13;/h2,4,6,8,10,13H,1,3,5,11H2;1H/t8-,10-;/m1./s1
InChIKeyHTPGOOZMMIGTDH-GHXDPTCOSA-N
MW214.70 g/mol
LogP1.20
Rot. Bonds

About (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride

(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride (PubChem CID 45261062) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride.

Molecular Properties

Compound Name(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride
PubChem CID45261062
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride
SMILESCl.N[C@@H]1CCCc2cccnc2[C@@H]1O
InChIInChI=1S/C10H14N2O.ClH/c11-8-5-1-3-7-4-2-6-12-9(7)10(8)13;/h2,4,6,8,10,13H,1,3,5,11H2;1H/t8-,10-;/m1./s1
InChIKeyHTPGOOZMMIGTDH-GHXDPTCOSA-N
XLogP1.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride?
The IUPAC name of (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride (CID 45261062) is (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride.
What is the SMILES notation for (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride?
The canonical SMILES for (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride is Cl.N[C@@H]1CCCc2cccnc2[C@@H]1O.
What is the InChIKey of (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride?
The InChIKey is HTPGOOZMMIGTDH-GHXDPTCOSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c11-8-5-1-3-7-4-2-6-12-9(7)10(8)13;/h2,4,6,8,10,13H,1,3,5,11H2;1H/t8-,10-;/m1./s1.
What are the key properties of (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride?
(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;hydrochloride is sourced from PubChem (CID 45261062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).