[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol

C18H9Cl6NO — CID 134637224

IUPAC[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C18H9Cl6NO/c19-10-1-3-12(21)16(23)14(10)9-5-8(7-26)6-25-18(9)15-11(20)2-4-13(22)17(15)24/h1-6,26H,7H2
InChIKeyBVDKVYLURRFWEW-UHFFFAOYSA-N
MW467.99 g/mol
LogP7.83
Rot. Bonds3

About [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol

[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol (PubChem CID 134637224) has the molecular formula C18H9Cl6NO and a molecular weight of 467.99 g/mol. Its IUPAC name is [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
PubChem CID134637224
Molecular FormulaC18H9Cl6NO
Molecular Weight467.99 g/mol
Exact Mass464.88
IUPAC Name[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C18H9Cl6NO/c19-10-1-3-12(21)16(23)14(10)9-5-8(7-26)6-25-18(9)15-11(20)2-4-13(22)17(15)24/h1-6,26H,7H2
InChIKeyBVDKVYLURRFWEW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637033
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
5-(hydroxymethyl)-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092649
5-chloro-6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092526
[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
CID 134628956
[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol
CID 118997102
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
(5-chloro-6-iodo-3-pyridinyl)methanol
CID 58001734
[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636116
(4-chloro-3-pyrimidin-2-ylphenyl)methanol
CID 70522497
5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134637003
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466

Frequently Asked Questions

What is the IUPAC name of [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol (CID 134637224) is [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol is OCc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
The InChIKey is BVDKVYLURRFWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl6NO/c19-10-1-3-12(21)16(23)14(10)9-5-8(7-26)6-25-18(9)15-11(20)2-4-13(22)17(15)24/h1-6,26H,7H2.
What are the key properties of [5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
[5,6-bis(2,3,6-trichlorophenyl)-3-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(2,3,6-trichlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 134637224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).