(2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone

C14H15ClN2O2 — CID 114247399

IUPAC(2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone
SMILESO=C(c1cccnc1Cl)N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H15ClN2O2/c15-13-9(2-1-3-16-13)14(19)17-6-8-4-7-5-10(8)11(17)12(7)18/h1-3,7-8,10-12,18H,4-6H2
InChIKeyCZMDLRHWRSKKDA-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.58
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone

(2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone (PubChem CID 114247399) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone
PubChem CID114247399
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone
SMILESO=C(c1cccnc1Cl)N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H15ClN2O2/c15-13-9(2-1-3-16-13)14(19)17-6-8-4-7-5-10(8)11(17)12(7)18/h1-3,7-8,10-12,18H,4-6H2
InChIKeyCZMDLRHWRSKKDA-UHFFFAOYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.58
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 (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone (CID 114247399) is (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone is O=C(c1cccnc1Cl)N1CC2CC3CC2C1C3O.
What is the InChIKey of (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone?
The InChIKey is CZMDLRHWRSKKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-13-9(2-1-3-16-13)14(19)17-6-8-4-7-5-10(8)11(17)12(7)18/h1-3,7-8,10-12,18H,4-6H2.
What are the key properties of (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone?
(2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone has a molecular weight of 278.74 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone is sourced from PubChem (CID 114247399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).