4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium

C14H13ClNOY- — CID 158883008

IUPAC4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(O)cc2)N1CC.[Y]
InChIInChI=1S/C14H13ClNO.Y/c1-3-16-10(2)13(15)8-9-14(16)11-4-6-12(17)7-5-11;/h4-8,17H,2-3H2,1H3;/q-1;
InChIKeyHRYGUODZSXXREN-UHFFFAOYSA-N
MW335.62 g/mol
LogP3.51
Rot. Bonds2

About 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium

4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium (PubChem CID 158883008) has the molecular formula C14H13ClNOY- and a molecular weight of 335.62 g/mol. Its IUPAC name is 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium.

Molecular Properties

Compound Name4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium
PubChem CID158883008
Molecular FormulaC14H13ClNOY-
Molecular Weight335.62 g/mol
Exact Mass334.97
IUPAC Name4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(O)cc2)N1CC.[Y]
InChIInChI=1S/C14H13ClNO.Y/c1-3-16-10(2)13(15)8-9-14(16)11-4-6-12(17)7-5-11;/h4-8,17H,2-3H2,1H3;/q-1;
InChIKeyHRYGUODZSXXREN-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 53.51
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

4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
CID 158882257
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157409502
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161494243
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
4-(5-chloro-1-ethylimidazol-2-yl)phenol
CID 137000636
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153086018
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161316716

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium?
The IUPAC name of 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium (CID 158883008) is 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium.
What is the SMILES notation for 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium?
The canonical SMILES for 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium is C=C1C(Cl)=C[C-]=C(c2ccc(O)cc2)N1CC.[Y].
What is the InChIKey of 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium?
The InChIKey is HRYGUODZSXXREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClNO.Y/c1-3-16-10(2)13(15)8-9-14(16)11-4-6-12(17)7-5-11;/h4-8,17H,2-3H2,1H3;/q-1;.
What are the key properties of 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium?
4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium has a molecular weight of 335.62 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-ethyl-6-methylidene-3H-pyridin-3-id-2-yl)phenol;yttrium is sourced from PubChem (CID 158883008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).