3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine

C16H18INO2 — CID 158644812

IUPAC3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine
SMILESC=C1C(I)=CC=C(c2ccc(OCCOC)cc2)N1C
InChIInChI=1S/C16H18INO2/c1-12-15(17)8-9-16(18(12)2)13-4-6-14(7-5-13)20-11-10-19-3/h4-9H,1,10-11H2,2-3H3
InChIKeyIVWUORNDNIEFBP-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.83
Rot. Bonds5

About 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine

3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine (PubChem CID 158644812) has the molecular formula C16H18INO2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine
PubChem CID158644812
Molecular FormulaC16H18INO2
Molecular Weight383.23 g/mol
Exact Mass383.04
IUPAC Name3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine
SMILESC=C1C(I)=CC=C(c2ccc(OCCOC)cc2)N1C
InChIInChI=1S/C16H18INO2/c1-12-15(17)8-9-16(18(12)2)13-4-6-14(7-5-13)20-11-10-19-3/h4-9H,1,10-11H2,2-3H3
InChIKeyIVWUORNDNIEFBP-UHFFFAOYSA-N
XLogP3.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158289970
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
CID 79485113
1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
CID 121498205
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
CID 95450329
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117370752
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
6-[4-(2-methoxyethoxy)phenyl]pyridazin-3-amine
CID 96662586
1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene
CID 59702789

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine?
The IUPAC name of 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine (CID 158644812) is 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine?
The canonical SMILES for 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine is C=C1C(I)=CC=C(c2ccc(OCCOC)cc2)N1C.
What is the InChIKey of 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine?
The InChIKey is IVWUORNDNIEFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO2/c1-12-15(17)8-9-16(18(12)2)13-4-6-14(7-5-13)20-11-10-19-3/h4-9H,1,10-11H2,2-3H3.
What are the key properties of 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine?
3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine has a molecular weight of 383.23 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 158644812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).