(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C13H14Cl2N2O2 — CID 63763468

IUPAC(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H14Cl2N2O2/c14-11-3-7(6-16-12(11)15)13(19)17-8-1-2-9(17)5-10(18)4-8/h3,6,8-10,18H,1-2,4-5H2
InChIKeySRIQHDSYRWVXPK-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.52
Rot. Bonds1

About (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63763468) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63763468
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H14Cl2N2O2/c14-11-3-7(6-16-12(11)15)13(19)17-8-1-2-9(17)5-10(18)4-8/h3,6,8-10,18H,1-2,4-5H2
InChIKeySRIQHDSYRWVXPK-UHFFFAOYSA-N
XLogP2.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63763468) is (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1cnc(Cl)c(Cl)c1)N1C2CCC1CC(O)C2.
What is the InChIKey of (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is SRIQHDSYRWVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-11-3-7(6-16-12(11)15)13(19)17-8-1-2-9(17)5-10(18)4-8/h3,6,8-10,18H,1-2,4-5H2.
What are the key properties of (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 301.17 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63763468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).