2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium

C16H16F2NOY- — CID 159935289

IUPAC2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(OCC(F)F)cc2)N1CC.[Y]
InChIInChI=1S/C16H16F2NO.Y/c1-3-19-12(2)5-4-6-15(19)13-7-9-14(10-8-13)20-11-16(17)18;/h4-5,7-10,16H,2-3,11H2,1H3;/q-1;
InChIKeyTZXPWZXIIJDBPA-UHFFFAOYSA-N
MW365.21 g/mol
LogP3.88
Rot. Bonds5

About 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium

2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 159935289) has the molecular formula C16H16F2NOY- and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID159935289
Molecular FormulaC16H16F2NOY-
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(OCC(F)F)cc2)N1CC.[Y]
InChIInChI=1S/C16H16F2NO.Y/c1-3-19-12(2)5-4-6-15(19)13-7-9-14(10-8-13)20-11-16(17)18;/h4-5,7-10,16H,2-3,11H2,1H3;/q-1;
InChIKeyTZXPWZXIIJDBPA-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 53.88
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-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159506707
1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 160616384
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-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
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-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
1-(2,2-difluoroethyl)-5-iodo-6-methylidene-2-[4-(2,2,2-trifluoroethoxy)phenyl]-3H-pyridin-3-ide;yttrium
CID 162146799
1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153032922
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 160922763
6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 161280183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 159935289) is 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C=C[C-]=C(c2ccc(OCC(F)F)cc2)N1CC.[Y].
What is the InChIKey of 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is TZXPWZXIIJDBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2NO.Y/c1-3-19-12(2)5-4-6-15(19)13-7-9-14(10-8-13)20-11-16(17)18;/h4-5,7-10,16H,2-3,11H2,1H3;/q-1;.
What are the key properties of 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 365.21 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 159935289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).