(7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine

C11H14ClNO — CID 167261652

IUPAC(7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
SMILESCC[C@@H]1OCc2ccc(Cl)nc2[C@H]1C
InChIInChI=1S/C11H14ClNO/c1-3-9-7(2)11-8(6-14-9)4-5-10(12)13-11/h4-5,7,9H,3,6H2,1-2H3/t7-,9-/m0/s1
InChIKeyOVTDFDMYEKMHEL-CBAPKCEASA-N
MW211.69 g/mol
LogP3.15
Rot. Bonds1

About (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine

(7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine (PubChem CID 167261652) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine.

Molecular Properties

Compound Name(7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
PubChem CID167261652
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
SMILESCC[C@@H]1OCc2ccc(Cl)nc2[C@H]1C
InChIInChI=1S/C11H14ClNO/c1-3-9-7(2)11-8(6-14-9)4-5-10(12)13-11/h4-5,7,9H,3,6H2,1-2H3/t7-,9-/m0/s1
InChIKeyOVTDFDMYEKMHEL-CBAPKCEASA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The IUPAC name of (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine (CID 167261652) is (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine.
What is the SMILES notation for (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The canonical SMILES for (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine is CC[C@@H]1OCc2ccc(Cl)nc2[C@H]1C.
What is the InChIKey of (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The InChIKey is OVTDFDMYEKMHEL-CBAPKCEASA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-9-7(2)11-8(6-14-9)4-5-10(12)13-11/h4-5,7,9H,3,6H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
(7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine has a molecular weight of 211.69 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine is sourced from PubChem (CID 167261652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).