1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium

C15H13F3NOY- — CID 159145703

IUPAC1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(OC)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C15H13F3NO.Y/c1-10-4-3-5-14(19(10)9-15(17)18)12-7-6-11(20-2)8-13(12)16;/h3-4,6-8,15H,1,9H2,2H3;/q-1;
InChIKeyGMSUDQWWJLMSQR-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.63
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium

1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 159145703) has the molecular formula C15H13F3NOY- and a molecular weight of 369.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID159145703
Molecular FormulaC15H13F3NOY-
Molecular Weight369.18 g/mol
Exact Mass369.00
IUPAC Name1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(OC)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C15H13F3NO.Y/c1-10-4-3-5-14(19(10)9-15(17)18)12-7-6-11(20-2)8-13(12)16;/h3-4,6-8,15H,1,9H2,2H3;/q-1;
InChIKeyGMSUDQWWJLMSQR-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153032922
2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162169593
1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 160616384
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-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159756936
5-chloro-2-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157452947
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451775
3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 161316717
1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159111274
3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxy-2-methylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450860

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium (CID 159145703) is 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C=C[C-]=C(c2ccc(OC)cc2F)N1CC(F)F.[Y].
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is GMSUDQWWJLMSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3NO.Y/c1-10-4-3-5-14(19(10)9-15(17)18)12-7-6-11(20-2)8-13(12)16;/h3-4,6-8,15H,1,9H2,2H3;/q-1;.
What are the key properties of 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 369.18 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 159145703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).