4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine

C7H10ClNO — CID 141421303

IUPAC4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine
SMILESCOC1=C(Cl)C=CNC1C
InChIInChI=1S/C7H10ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-5,9H,1-2H3
InChIKeyUZDXXJYENOGFOW-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.59
Rot. Bonds1

About 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine

4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine (PubChem CID 141421303) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine
PubChem CID141421303
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine
SMILESCOC1=C(Cl)C=CNC1C
InChIInChI=1S/C7H10ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-5,9H,1-2H3
InChIKeyUZDXXJYENOGFOW-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine?
The IUPAC name of 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine (CID 141421303) is 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine.
What is the SMILES notation for 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine?
The canonical SMILES for 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine is COC1=C(Cl)C=CNC1C.
What is the InChIKey of 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine?
The InChIKey is UZDXXJYENOGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-5,9H,1-2H3.
What are the key properties of 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine?
4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine has a molecular weight of 159.62 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-2-methyl-1,2-dihydropyridine is sourced from PubChem (CID 141421303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).