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

C14H10Cl2F2NY- — CID 162169593

IUPAC2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(Cl)cc2Cl)N1CC(F)F.[Y]
InChIInChI=1S/C14H10Cl2F2N.Y/c1-9-3-2-4-13(19(9)8-14(17)18)11-6-5-10(15)7-12(11)16;/h2-3,5-7,14H,1,8H2;/q-1;
InChIKeyBPGSVXHZSFUKKM-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.79
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 162169593) has the molecular formula C14H10Cl2F2NY- and a molecular weight of 390.05 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID162169593
Molecular FormulaC14H10Cl2F2NY-
Molecular Weight390.05 g/mol
Exact Mass388.92
IUPAC Name2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(Cl)cc2Cl)N1CC(F)F.[Y]
InChIInChI=1S/C14H10Cl2F2N.Y/c1-9-3-2-4-13(19(9)8-14(17)18)11-6-5-10(15)7-12(11)16;/h2-3,5-7,14H,1,8H2;/q-1;
InChIKeyBPGSVXHZSFUKKM-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 54.79
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

2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153032922
1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159145703
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159756936
1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 160616384
1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159111274
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
6-(2-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450784
5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161316716
5-chloro-2-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157452947
6-(2-chloro-4-prop-2-enoxyphenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451531
1-(2,2-difluoroethyl)-2-(2-fluoro-4-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium (CID 162169593) is 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C=C[C-]=C(c2ccc(Cl)cc2Cl)N1CC(F)F.[Y].
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is BPGSVXHZSFUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N.Y/c1-9-3-2-4-13(19(9)8-14(17)18)11-6-5-10(15)7-12(11)16;/h2-3,5-7,14H,1,8H2;/q-1;.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 390.05 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 162169593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).