3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine

C15H18ClNO2 — CID 159270423

IUPAC3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC(c2ccc(OCCOC)cc2)=CCC1Cl
InChIInChI=1S/C15H18ClNO2/c1-11-14(16)7-8-15(17-11)12-3-5-13(6-4-12)19-10-9-18-2/h3-6,8,14,17H,1,7,9-10H2,2H3
InChIKeyGJBOSQPEKOGDKY-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.17
Rot. Bonds5

About 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine

3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine (PubChem CID 159270423) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
PubChem CID159270423
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC(c2ccc(OCCOC)cc2)=CCC1Cl
InChIInChI=1S/C15H18ClNO2/c1-11-14(16)7-8-15(17-11)12-3-5-13(6-4-12)19-10-9-18-2/h3-6,8,14,17H,1,7,9-10H2,2H3
InChIKeyGJBOSQPEKOGDKY-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
CID 158431798
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
3-bromo-2-methylidene-6-(4-prop-2-ynoxyphenyl)-3,4-dihydro-1H-pyridine
CID 162118640
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol
CID 81415983
6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine
CID 157399359
1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine
CID 146327708
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 158644812
2-ethyl-3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-amine
CID 81416133

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
The IUPAC name of 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine (CID 159270423) is 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
The canonical SMILES for 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine is C=C1NC(c2ccc(OCCOC)cc2)=CCC1Cl.
What is the InChIKey of 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
The InChIKey is GJBOSQPEKOGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-11-14(16)7-8-15(17-11)12-3-5-13(6-4-12)19-10-9-18-2/h3-6,8,14,17H,1,7,9-10H2,2H3.
What are the key properties of 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine has a molecular weight of 279.77 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 159270423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).