3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine

C15H14ClF2NO — CID 147986146

IUPAC3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine
SMILESC=C1C(Cl)=CC=C(c2ccc(OC)cc2)N1CC(F)F
InChIInChI=1S/C15H14ClF2NO/c1-10-13(16)7-8-14(19(10)9-15(17)18)11-3-5-12(20-2)6-4-11/h3-8,15H,1,9H2,2H3
InChIKeyARHLDJZKUVULGN-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.25
Rot. Bonds4

About 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine

3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine (PubChem CID 147986146) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine.

Molecular Properties

Compound Name3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine
PubChem CID147986146
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine
SMILESC=C1C(Cl)=CC=C(c2ccc(OC)cc2)N1CC(F)F
InChIInChI=1S/C15H14ClF2NO/c1-10-13(16)7-8-14(19(10)9-15(17)18)11-3-5-12(20-2)6-4-11/h3-8,15H,1,9H2,2H3
InChIKeyARHLDJZKUVULGN-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 161316717
3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(methylsulfanylmethoxy)phenyl]-2-methylidenepyridine
CID 159934092
1-ethyl-6-(4-methoxyphenyl)-3-methyl-2-methylidenepyridine
CID 149225272
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine
CID 157237767
3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 159372256
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161316716
1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159145703
1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine?
The IUPAC name of 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine (CID 147986146) is 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine.
What is the SMILES notation for 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine?
The canonical SMILES for 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine is C=C1C(Cl)=CC=C(c2ccc(OC)cc2)N1CC(F)F.
What is the InChIKey of 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine?
The InChIKey is ARHLDJZKUVULGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-10-13(16)7-8-14(19(10)9-15(17)18)11-3-5-12(20-2)6-4-11/h3-8,15H,1,9H2,2H3.
What are the key properties of 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine?
3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine has a molecular weight of 297.73 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine is sourced from PubChem (CID 147986146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).