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

C17H16F2NOY- — CID 160616384

IUPAC1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
SMILESC=CCOc1ccc(C2=[C-]C=CC(=C)N2CC(F)F)cc1.[Y]
InChIInChI=1S/C17H16F2NO.Y/c1-3-11-21-15-9-7-14(8-10-15)16-6-4-5-13(2)20(16)12-17(18)19;/h3-5,7-10,17H,1-2,11-12H2;/q-1;
InChIKeyXFLBDEHLCKCSIX-UHFFFAOYSA-N
MW377.22 g/mol
LogP4.04
Rot. Bonds6

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

1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium (PubChem CID 160616384) has the molecular formula C17H16F2NOY- and a molecular weight of 377.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
PubChem CID160616384
Molecular FormulaC17H16F2NOY-
Molecular Weight377.22 g/mol
Exact Mass377.03
IUPAC Name1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
SMILESC=CCOc1ccc(C2=[C-]C=CC(=C)N2CC(F)F)cc1.[Y]
InChIInChI=1S/C17H16F2NO.Y/c1-3-11-21-15-9-7-14(8-10-15)16-6-4-5-13(2)20(16)12-17(18)19;/h3-5,7-10,17H,1-2,11-12H2;/q-1;
InChIKeyXFLBDEHLCKCSIX-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159506707
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
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
1-(2,2-difluoroethyl)-2-(2-fluoro-4-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
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
1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
6-(2-chloro-4-prop-2-enoxyphenyl)-1-(2,2-difluoroethyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451693

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium?
The IUPAC name of 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium (CID 160616384) is 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium is C=CCOc1ccc(C2=[C-]C=CC(=C)N2CC(F)F)cc1.[Y].
What is the InChIKey of 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium?
The InChIKey is XFLBDEHLCKCSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2NO.Y/c1-3-11-21-15-9-7-14(8-10-15)16-6-4-5-13(2)20(16)12-17(18)19;/h3-5,7-10,17H,1-2,11-12H2;/q-1;.
What are the key properties of 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium?
1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium has a molecular weight of 377.22 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 160616384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).