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

C16H15ClF2NOY- — CID 162149494

IUPAC5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(OCC)cc2)N1CC(F)F.[Y]
InChIInChI=1S/C16H15ClF2NO.Y/c1-3-21-13-6-4-12(5-7-13)15-9-8-14(17)11(2)20(15)10-16(18)19;/h4-8,16H,2-3,10H2,1H3;/q-1;
InChIKeyHRHSPWMSZANCHD-UHFFFAOYSA-N
MW399.66 g/mol
LogP4.44
Rot. Bonds5

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

5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 162149494) has the molecular formula C16H15ClF2NOY- and a molecular weight of 399.66 g/mol. Its IUPAC name is 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID162149494
Molecular FormulaC16H15ClF2NOY-
Molecular Weight399.66 g/mol
Exact Mass398.99
IUPAC Name5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(OCC)cc2)N1CC(F)F.[Y]
InChIInChI=1S/C16H15ClF2NO.Y/c1-3-21-13-6-4-12(5-7-13)15-9-8-14(17)11(2)20(15)10-16(18)19;/h4-8,16H,2-3,10H2,1H3;/q-1;
InChIKeyHRHSPWMSZANCHD-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.66
LogP ≤ 54.44
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

5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157409502
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-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161494243
1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
1-(2,2-difluoroethyl)-5-iodo-6-methylidene-2-[4-(2,2,2-trifluoroethoxy)phenyl]-3H-pyridin-3-ide;yttrium
CID 162146799
2-[4-(2,2-difluoroethoxy)phenyl]-1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158732629
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)-5-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
5-chloro-2-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157452947
4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
CID 158882257
2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153086018
4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium
CID 158883008

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium (CID 162149494) is 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(Cl)=C[C-]=C(c2ccc(OCC)cc2)N1CC(F)F.[Y].
What is the InChIKey of 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is HRHSPWMSZANCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2NO.Y/c1-3-21-13-6-4-12(5-7-13)15-9-8-14(17)11(2)20(15)10-16(18)19;/h4-8,16H,2-3,10H2,1H3;/q-1;.
What are the key properties of 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 399.66 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 162149494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).