2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C15H12ClF3NY- — CID 159756936

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(Cl)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C15H12ClF3N.Y/c1-9-3-6-14(20(10(9)2)8-15(18)19)12-5-4-11(16)7-13(12)17;/h3-5,7,15H,2,8H2,1H3;/q-1;
InChIKeyWZTACVBKIHFRLM-UHFFFAOYSA-N
MW387.62 g/mol
LogP4.66
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 159756936) has the molecular formula C15H12ClF3NY- and a molecular weight of 387.62 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID159756936
Molecular FormulaC15H12ClF3NY-
Molecular Weight387.62 g/mol
Exact Mass386.97
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(Cl)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C15H12ClF3N.Y/c1-9-3-6-14(20(10(9)2)8-15(18)19)12-5-4-11(16)7-13(12)17;/h3-5,7,15H,2,8H2,1H3;/q-1;
InChIKeyWZTACVBKIHFRLM-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159111274
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153032922
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-6-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158178614
1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160771850
2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162169593
1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159145703
5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161494243
2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161041574
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
5-bromo-1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-enoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159978978
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159431424

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 159756936) is 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(C)=C[C-]=C(c2ccc(Cl)cc2F)N1CC(F)F.[Y].
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is WZTACVBKIHFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N.Y/c1-9-3-6-14(20(10(9)2)8-15(18)19)12-5-4-11(16)7-13(12)17;/h3-5,7,15H,2,8H2,1H3;/q-1;.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 387.62 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 159756936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).