4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium

C15H14F2NOY- — CID 158882257

IUPAC4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(O)cc2)N1CC(F)F.[Y]
InChIInChI=1S/C15H14F2NO.Y/c1-10-3-8-14(12-4-6-13(19)7-5-12)18(11(10)2)9-15(16)17;/h3-7,15,19H,2,9H2,1H3;/q-1;
InChIKeyPXARSWUNACLEAG-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.57
Rot. Bonds3

About 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium

4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium (PubChem CID 158882257) has the molecular formula C15H14F2NOY- and a molecular weight of 351.19 g/mol. Its IUPAC name is 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium.

Molecular Properties

Compound Name4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
PubChem CID158882257
Molecular FormulaC15H14F2NOY-
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(O)cc2)N1CC(F)F.[Y]
InChIInChI=1S/C15H14F2NO.Y/c1-10-3-8-14(12-4-6-13(19)7-5-12)18(11(10)2)9-15(16)17;/h3-7,15,19H,2,9H2,1H3;/q-1;
InChIKeyPXARSWUNACLEAG-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159756936
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium
CID 158883008
1-(2,2-difluoroethyl)-2-(2-fluoro-4-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
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-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-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
4-[1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-2-pyridinyl]phenol
CID 162098772
2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153086018
2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158335213

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium?
The IUPAC name of 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium (CID 158882257) is 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium.
What is the SMILES notation for 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium?
The canonical SMILES for 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium is C=C1C(C)=C[C-]=C(c2ccc(O)cc2)N1CC(F)F.[Y].
What is the InChIKey of 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium?
The InChIKey is PXARSWUNACLEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2NO.Y/c1-10-3-8-14(12-4-6-13(19)7-5-12)18(11(10)2)9-15(16)17;/h3-7,15,19H,2,9H2,1H3;/q-1;.
What are the key properties of 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium?
4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium has a molecular weight of 351.19 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium is sourced from PubChem (CID 158882257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).