3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine

C17H19ClFNO2 — CID 159372256

IUPAC3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
SMILESC=C1C(Cl)=CC=C(c2ccc(OCCOC)cc2F)N1CC
InChIInChI=1S/C17H19ClFNO2/c1-4-20-12(2)15(18)7-8-17(20)14-6-5-13(11-16(14)19)22-10-9-21-3/h5-8,11H,2,4,9-10H2,1,3H3
InChIKeyCYXGTLFQLLNQSQ-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.16
Rot. Bonds6

About 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine

3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine (PubChem CID 159372256) has the molecular formula C17H19ClFNO2 and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine.

Molecular Properties

Compound Name3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
PubChem CID159372256
Molecular FormulaC17H19ClFNO2
Molecular Weight323.80 g/mol
Exact Mass323.11
IUPAC Name3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
SMILESC=C1C(Cl)=CC=C(c2ccc(OCCOC)cc2F)N1CC
InChIInChI=1S/C17H19ClFNO2/c1-4-20-12(2)15(18)7-8-17(20)14-6-5-13(11-16(14)19)22-10-9-21-3/h5-8,11H,2,4,9-10H2,1,3H3
InChIKeyCYXGTLFQLLNQSQ-UHFFFAOYSA-N
XLogP4.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 161316717
5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161316716
3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(methylsulfanylmethoxy)phenyl]-2-methylidenepyridine
CID 159934092
1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine
CID 159262861
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
5-bromo-1-ethyl-2-[2-fluoro-4-(methoxymethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162077228
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159431424
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160771850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine?
The IUPAC name of 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine (CID 159372256) is 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine.
What is the SMILES notation for 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine?
The canonical SMILES for 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine is C=C1C(Cl)=CC=C(c2ccc(OCCOC)cc2F)N1CC.
What is the InChIKey of 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine?
The InChIKey is CYXGTLFQLLNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO2/c1-4-20-12(2)15(18)7-8-17(20)14-6-5-13(11-16(14)19)22-10-9-21-3/h5-8,11H,2,4,9-10H2,1,3H3.
What are the key properties of 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine?
3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine has a molecular weight of 323.80 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine is sourced from PubChem (CID 159372256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).