1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine

C13H16ClNO — CID 10490079

IUPAC1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO/c1-2-16-13-7-9-15(10-8-13)12-5-3-11(14)4-6-12/h3-7H,2,8-10H2,1H3
InChIKeyQYFSGHZFAQSPKQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine

1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine (PubChem CID 10490079) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
PubChem CID10490079
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO/c1-2-16-13-7-9-15(10-8-13)12-5-3-11(14)4-6-12/h3-7H,2,8-10H2,1H3
InChIKeyQYFSGHZFAQSPKQ-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine (CID 10490079) is 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine is CCOC1=CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The InChIKey is QYFSGHZFAQSPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-2-16-13-7-9-15(10-8-13)12-5-3-11(14)4-6-12/h3-7H,2,8-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine has a molecular weight of 237.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10490079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).