7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C14H16ClF3N2O — CID 106971642

IUPAC7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(c2ccc(C(F)(F)F)nc2Cl)CCN2CCCC2C1
InChIInChI=1S/C14H16ClF3N2O/c15-12-10(3-4-11(19-12)14(16,17)18)13(21)5-7-20-6-1-2-9(20)8-13/h3-4,9,21H,1-2,5-8H2
InChIKeyRMDZWLTYWRZKDL-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.20
Rot. Bonds1

About 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 106971642) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID106971642
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(c2ccc(C(F)(F)F)nc2Cl)CCN2CCCC2C1
InChIInChI=1S/C14H16ClF3N2O/c15-12-10(3-4-11(19-12)14(16,17)18)13(21)5-7-20-6-1-2-9(20)8-13/h3-4,9,21H,1-2,5-8H2
InChIKeyRMDZWLTYWRZKDL-UHFFFAOYSA-N
XLogP3.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.20
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 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 106971642) is 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is OC1(c2ccc(C(F)(F)F)nc2Cl)CCN2CCCC2C1.
What is the InChIKey of 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is RMDZWLTYWRZKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-12-10(3-4-11(19-12)14(16,17)18)13(21)5-7-20-6-1-2-9(20)8-13/h3-4,9,21H,1-2,5-8H2.
What are the key properties of 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 320.74 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 106971642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).