6-chloro-3-methoxy-1,2-dihydropyridine

C6H8ClNO — CID 89084156

IUPAC6-chloro-3-methoxy-1,2-dihydropyridine
SMILESCOC1=CC=C(Cl)NC1
InChIInChI=1S/C6H8ClNO/c1-9-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3
InChIKeyGEMJVMULFYZSOL-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.20
Rot. Bonds1

About 6-chloro-3-methoxy-1,2-dihydropyridine

6-chloro-3-methoxy-1,2-dihydropyridine (PubChem CID 89084156) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 6-chloro-3-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-3-methoxy-1,2-dihydropyridine
PubChem CID89084156
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name6-chloro-3-methoxy-1,2-dihydropyridine
SMILESCOC1=CC=C(Cl)NC1
InChIInChI=1S/C6H8ClNO/c1-9-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3
InChIKeyGEMJVMULFYZSOL-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-1,2-dihydropyridine?
The IUPAC name of 6-chloro-3-methoxy-1,2-dihydropyridine (CID 89084156) is 6-chloro-3-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-3-methoxy-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-3-methoxy-1,2-dihydropyridine is COC1=CC=C(Cl)NC1.
What is the InChIKey of 6-chloro-3-methoxy-1,2-dihydropyridine?
The InChIKey is GEMJVMULFYZSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-9-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3.
What are the key properties of 6-chloro-3-methoxy-1,2-dihydropyridine?
6-chloro-3-methoxy-1,2-dihydropyridine has a molecular weight of 145.59 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 89084156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).