[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol

C18H9Cl6NO — CID 134617493

IUPAC[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C18H9Cl6NO/c19-8-3-12(21)16(13(22)4-8)11-2-1-10(7-26)25-18(11)17-14(23)5-9(20)6-15(17)24/h1-6,26H,7H2
InChIKeyGQWHSESBKDTVJL-UHFFFAOYSA-N
MW467.99 g/mol
LogP7.83
Rot. Bonds3

About [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol

[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol (PubChem CID 134617493) has the molecular formula C18H9Cl6NO and a molecular weight of 467.99 g/mol. Its IUPAC name is [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
PubChem CID134617493
Molecular FormulaC18H9Cl6NO
Molecular Weight467.99 g/mol
Exact Mass464.88
IUPAC Name[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C18H9Cl6NO/c19-8-3-12(21)16(13(22)4-8)11-2-1-10(7-26)25-18(11)17-14(23)5-9(20)6-15(17)24/h1-6,26H,7H2
InChIKeyGQWHSESBKDTVJL-UHFFFAOYSA-N
XLogP7.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.99
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
CID 119006259
[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
CID 134227733
[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636257
[6-methoxy-3-(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134636475
2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134636431
2-[5,6-bis(2,3,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134637234
[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740
[3-chloro-4-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 104729116
[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134637996
[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625763
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134630403

Frequently Asked Questions

What is the IUPAC name of [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol (CID 134617493) is [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol is OCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(-c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is GQWHSESBKDTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl6NO/c19-8-3-12(21)16(13(22)4-8)11-2-1-10(7-26)25-18(11)17-14(23)5-9(20)6-15(17)24/h1-6,26H,7H2.
What are the key properties of [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol?
[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol has a molecular weight of 467.99 g/mol, XLogP of 7.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134617493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).