5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol

C89H82Cl4F2N8O7 — CID 158738459

IUPAC5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol
SMILESCCc1cccc(-c2cc(C)c(O)cc2C)n1.Cc1cc(-c2ccccn2)c(C)cc1O.Cc1cc(-c2ccccn2)c(Cl)cc1O.Cc1cc(-c2ncccn2)c(C)cc1O.Cc1cc(C)nc(-c2cc(C)c(O)cc2C)c1.Oc1cc(Cl)c(-c2ccccn2)cc1Cl.Oc1cc(F)c(-c2cccc(Cl)n2)cc1F
InChIInChI=1S/2C15H17NO.C13H13NO.C12H10ClNO.C12H12N2O.C11H7Cl2NO.C11H6ClF2NO/c1-9-5-12(4)16-14(6-9)13-7-11(3)15(17)8-10(13)2;1-4-12-6-5-7-14(16-12)13-8-11(3)15(17)9-10(13)2;1-9-8-13(15)10(2)7-11(9)12-5-3-4-6-14-12;1-8-6-9(10(13)7-12(8)15)11-4-2-3-5-14-11;1-8-7-11(15)9(2)6-10(8)12-13-4-3-5-14-12;12-8-6-11(15)9(13)5-7(8)10-3-1-2-4-14-10;12-11-3-1-2-9(15-11)6-4-8(14)10(16)5-7(6)13/h5-8,17H,1-4H3;5-9,17H,4H2,1-3H3;3-8,15H,1-2H3;2-7,15H,1H3;3-7,15H,1-2H3;1-6,15H;1-5,16H
InChIKeyILZDMOYFUCKYSR-UHFFFAOYSA-N
MW1555.49 g/mol
LogP23.42
Rot. Bonds8

About 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol

5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol (PubChem CID 158738459) has the molecular formula C89H82Cl4F2N8O7 and a molecular weight of 1555.49 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol.

Molecular Properties

Compound Name5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol
PubChem CID158738459
Molecular FormulaC89H82Cl4F2N8O7
Molecular Weight1555.49 g/mol
Exact Mass1552.50
IUPAC Name5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol
SMILESCCc1cccc(-c2cc(C)c(O)cc2C)n1.Cc1cc(-c2ccccn2)c(C)cc1O.Cc1cc(-c2ccccn2)c(Cl)cc1O.Cc1cc(-c2ncccn2)c(C)cc1O.Cc1cc(C)nc(-c2cc(C)c(O)cc2C)c1.Oc1cc(Cl)c(-c2ccccn2)cc1Cl.Oc1cc(F)c(-c2cccc(Cl)n2)cc1F
InChIInChI=1S/2C15H17NO.C13H13NO.C12H10ClNO.C12H12N2O.C11H7Cl2NO.C11H6ClF2NO/c1-9-5-12(4)16-14(6-9)13-7-11(3)15(17)8-10(13)2;1-4-12-6-5-7-14(16-12)13-8-11(3)15(17)9-10(13)2;1-9-8-13(15)10(2)7-11(9)12-5-3-4-6-14-12;1-8-6-9(10(13)7-12(8)15)11-4-2-3-5-14-11;1-8-7-11(15)9(2)6-10(8)12-13-4-3-5-14-12;12-8-6-11(15)9(13)5-7(8)10-3-1-2-4-14-10;12-11-3-1-2-9(15-11)6-4-8(14)10(16)5-7(6)13/h5-8,17H,1-4H3;5-9,17H,4H2,1-3H3;3-8,15H,1-2H3;2-7,15H,1H3;3-7,15H,1-2H3;1-6,15H;1-5,16H
InChIKeyILZDMOYFUCKYSR-UHFFFAOYSA-N
XLogP23.42
TPSA244.73 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001555.49
LogP ≤ 523.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol?
The IUPAC name of 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol (CID 158738459) is 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol.
What is the SMILES notation for 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol?
The canonical SMILES for 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol is CCc1cccc(-c2cc(C)c(O)cc2C)n1.Cc1cc(-c2ccccn2)c(C)cc1O.Cc1cc(-c2ccccn2)c(Cl)cc1O.Cc1cc(-c2ncccn2)c(C)cc1O.Cc1cc(C)nc(-c2cc(C)c(O)cc2C)c1.Oc1cc(Cl)c(-c2ccccn2)cc1Cl.Oc1cc(F)c(-c2cccc(Cl)n2)cc1F.
What is the InChIKey of 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol?
The InChIKey is ILZDMOYFUCKYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17NO.C13H13NO.C12H10ClNO.C12H12N2O.C11H7Cl2NO.C11H6ClF2NO/c1-9-5-12(4)16-14(6-9)13-7-11(3)15(17)8-10(13)2;1-4-12-6-5-7-14(16-12)13-8-11(3)15(17)9-10(13)2;1-9-8-13(15)10(2)7-11(9)12-5-3-4-6-14-12;1-8-6-9(10(13)7-12(8)15)11-4-2-3-5-14-11;1-8-7-11(15)9(2)6-10(8)12-13-4-3-5-14-12;12-8-6-11(15)9(13)5-7(8)10-3-1-2-4-14-10;12-11-3-1-2-9(15-11)6-4-8(14)10(16)5-7(6)13/h5-8,17H,1-4H3;5-9,17H,4H2,1-3H3;3-8,15H,1-2H3;2-7,15H,1H3;3-7,15H,1-2H3;1-6,15H;1-5,16H.
What are the key properties of 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol?
5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol has a molecular weight of 1555.49 g/mol, XLogP of 23.42, 8 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-pyridin-2-ylphenol;4-(6-chloro-2-pyridinyl)-2,5-difluorophenol;2,5-dichloro-4-pyridin-2-ylphenol;4-(4,6-dimethyl-2-pyridinyl)-2,5-dimethylphenol;2,5-dimethyl-4-pyridin-2-ylphenol;2,5-dimethyl-4-pyrimidin-2-ylphenol;4-(6-ethyl-2-pyridinyl)-2,5-dimethylphenol is sourced from PubChem (CID 158738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).