3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine

C20H19ClN2O2 — CID 158031170

IUPAC3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine
SMILESCOCCOc1cc(-c2cncc(-c3ccc(C)cc3Cl)c2)ccn1
InChIInChI=1S/C20H19ClN2O2/c1-14-3-4-18(19(21)9-14)17-10-16(12-22-13-17)15-5-6-23-20(11-15)25-8-7-24-2/h3-6,9-13H,7-8H2,1-2H3
InChIKeyHSFKDAQNPGMRDM-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.80
Rot. Bonds6

About 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine

3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine (PubChem CID 158031170) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine
PubChem CID158031170
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine
SMILESCOCCOc1cc(-c2cncc(-c3ccc(C)cc3Cl)c2)ccn1
InChIInChI=1S/C20H19ClN2O2/c1-14-3-4-18(19(21)9-14)17-10-16(12-22-13-17)15-5-6-23-20(11-15)25-8-7-24-2/h3-6,9-13H,7-8H2,1-2H3
InChIKeyHSFKDAQNPGMRDM-UHFFFAOYSA-N
XLogP4.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine (CID 158031170) is 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine is COCCOc1cc(-c2cncc(-c3ccc(C)cc3Cl)c2)ccn1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?
The InChIKey is HSFKDAQNPGMRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-14-3-4-18(19(21)9-14)17-10-16(12-22-13-17)15-5-6-23-20(11-15)25-8-7-24-2/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?
3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine has a molecular weight of 354.84 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine is sourced from PubChem (CID 158031170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).