3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium

C14H14Cl2NO2+ — CID 126957909

IUPAC3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium
SMILESCc1ccc(Oc2c(Cl)c(C)[n+](O)c(C)c2Cl)cc1
InChIInChI=1S/C14H14Cl2NO2/c1-8-4-6-11(7-5-8)19-14-12(15)9(2)17(18)10(3)13(14)16/h4-7,18H,1-3H3/q+1
InChIKeyRMPYWQARPFYZII-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.24
Rot. Bonds2

About 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium

3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium (PubChem CID 126957909) has the molecular formula C14H14Cl2NO2+ and a molecular weight of 299.18 g/mol. Its IUPAC name is 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium.

Molecular Properties

Compound Name3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium
PubChem CID126957909
Molecular FormulaC14H14Cl2NO2+
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium
SMILESCc1ccc(Oc2c(Cl)c(C)[n+](O)c(C)c2Cl)cc1
InChIInChI=1S/C14H14Cl2NO2/c1-8-4-6-11(7-5-8)19-14-12(15)9(2)17(18)10(3)13(14)16/h4-7,18H,1-3H3/q+1
InChIKeyRMPYWQARPFYZII-UHFFFAOYSA-N
XLogP4.24
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2,6-dimethyl-4-(4-methylphenoxy)-1-oxidopyridin-1-ium
CID 4200936
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
4-chloro-3-methyl-2-(4-methylphenoxy)aniline
CID 112740948
2-chloro-5-(4-methylphenoxy)phenol
CID 70825108
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
CID 102110904
1-chloro-3-methyl-5-(4-methylphenoxy)benzene
CID 20577508
[4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58690162
4,6-dichloro-2-(4-methylphenoxy)pyrimidine
CID 10800977
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium?
The IUPAC name of 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium (CID 126957909) is 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium.
What is the SMILES notation for 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium?
The canonical SMILES for 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium is Cc1ccc(Oc2c(Cl)c(C)[n+](O)c(C)c2Cl)cc1.
What is the InChIKey of 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium?
The InChIKey is RMPYWQARPFYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2NO2/c1-8-4-6-11(7-5-8)19-14-12(15)9(2)17(18)10(3)13(14)16/h4-7,18H,1-3H3/q+1.
What are the key properties of 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium?
3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium has a molecular weight of 299.18 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-hydroxy-2,6-dimethyl-4-(4-methylphenoxy)pyridin-1-ium is sourced from PubChem (CID 126957909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).