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

C14H9ClF4NY- — CID 161494243

IUPAC5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2cc(F)cc(F)c2)N1CC(F)F.[Y]
InChIInChI=1S/C14H9ClF4N.Y/c1-8-12(15)2-3-13(20(8)7-14(18)19)9-4-10(16)6-11(17)5-9;/h2,4-6,14H,1,7H2;/q-1;
InChIKeyPLZOQJXVWCAJCR-UHFFFAOYSA-N
MW391.58 g/mol
LogP4.32
Rot. Bonds3

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

5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 161494243) has the molecular formula C14H9ClF4NY- and a molecular weight of 391.58 g/mol. Its IUPAC name is 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID161494243
Molecular FormulaC14H9ClF4NY-
Molecular Weight391.58 g/mol
Exact Mass390.94
IUPAC Name5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2cc(F)cc(F)c2)N1CC(F)F.[Y]
InChIInChI=1S/C14H9ClF4N.Y/c1-8-12(15)2-3-13(20(8)7-14(18)19)9-4-10(16)6-11(17)5-9;/h2,4-6,14H,1,7H2;/q-1;
InChIKeyPLZOQJXVWCAJCR-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 54.32
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

5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
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
4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
CID 158882257
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159756936
4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium
CID 158883008
1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine
CID 157237767
1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159111274
1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
1-(2,2-difluoroethyl)-2-(2-fluoro-4-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine
CID 147986146
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153032922

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium (CID 161494243) is 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(Cl)=C[C-]=C(c2cc(F)cc(F)c2)N1CC(F)F.[Y].
What is the InChIKey of 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is PLZOQJXVWCAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N.Y/c1-8-12(15)2-3-13(20(8)7-14(18)19)9-4-10(16)6-11(17)5-9;/h2,4-6,14H,1,7H2;/q-1;.
What are the key properties of 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium?
5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 391.58 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 161494243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).