2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine

C22H27ClN2 — CID 15392122

IUPAC2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine
SMILESCCc1ccc(CCN2CC=C(c3cccc(Cl)n3)CC2)cc1CC
InChIInChI=1S/C22H27ClN2/c1-3-18-9-8-17(16-19(18)4-2)10-13-25-14-11-20(12-15-25)21-6-5-7-22(23)24-21/h5-9,11,16H,3-4,10,12-15H2,1-2H3
InChIKeyYGDXEAKVBABUNQ-UHFFFAOYSA-N
MW354.93 g/mol
LogP5.19
Rot. Bonds6

About 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine

2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine (PubChem CID 15392122) has the molecular formula C22H27ClN2 and a molecular weight of 354.93 g/mol. Its IUPAC name is 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine
PubChem CID15392122
Molecular FormulaC22H27ClN2
Molecular Weight354.93 g/mol
Exact Mass354.19
IUPAC Name2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine
SMILESCCc1ccc(CCN2CC=C(c3cccc(Cl)n3)CC2)cc1CC
InChIInChI=1S/C22H27ClN2/c1-3-18-9-8-17(16-19(18)4-2)10-13-25-14-11-20(12-15-25)21-6-5-7-22(23)24-21/h5-9,11,16H,3-4,10,12-15H2,1-2H3
InChIKeyYGDXEAKVBABUNQ-UHFFFAOYSA-N
XLogP5.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.93
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine?
The IUPAC name of 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine (CID 15392122) is 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine.
What is the SMILES notation for 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine?
The canonical SMILES for 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine is CCc1ccc(CCN2CC=C(c3cccc(Cl)n3)CC2)cc1CC.
What is the InChIKey of 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine?
The InChIKey is YGDXEAKVBABUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2/c1-3-18-9-8-17(16-19(18)4-2)10-13-25-14-11-20(12-15-25)21-6-5-7-22(23)24-21/h5-9,11,16H,3-4,10,12-15H2,1-2H3.
What are the key properties of 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine?
2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine has a molecular weight of 354.93 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine is sourced from PubChem (CID 15392122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).