1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine

C12H13Cl2NO — CID 135081942

IUPAC1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine
SMILESCOC1=CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H13Cl2NO/c1-16-10-4-6-15(7-5-10)12-3-2-9(13)8-11(12)14/h2-4,8H,5-7H2,1H3
InChIKeyNJRHJPKCHSCCSS-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.73
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine

1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine (PubChem CID 135081942) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine
PubChem CID135081942
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine
SMILESCOC1=CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H13Cl2NO/c1-16-10-4-6-15(7-5-10)12-3-2-9(13)8-11(12)14/h2-4,8H,5-7H2,1H3
InChIKeyNJRHJPKCHSCCSS-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine (CID 135081942) is 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine is COC1=CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The InChIKey is NJRHJPKCHSCCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-16-10-4-6-15(7-5-10)12-3-2-9(13)8-11(12)14/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine has a molecular weight of 258.15 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 135081942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).