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

C18H9Cl6NO — CID 134637996

IUPAC[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1nc(-c2cc(Cl)cc(Cl)c2Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C18H9Cl6NO/c19-8-3-11(17(23)13(21)5-8)10-1-2-15(25-16(10)7-26)12-4-9(20)6-14(22)18(12)24/h1-6,26H,7H2
InChIKeyDJXQZYRPUGHEHC-UHFFFAOYSA-N
MW467.99 g/mol
LogP7.83
Rot. Bonds3

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

[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol (PubChem CID 134637996) has the molecular formula C18H9Cl6NO and a molecular weight of 467.99 g/mol. Its IUPAC name is [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
PubChem CID134637996
Molecular FormulaC18H9Cl6NO
Molecular Weight467.99 g/mol
Exact Mass464.88
IUPAC Name[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1nc(-c2cc(Cl)cc(Cl)c2Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C18H9Cl6NO/c19-8-3-11(17(23)13(21)5-8)10-1-2-15(25-16(10)7-26)12-4-9(20)6-14(22)18(12)24/h1-6,26H,7H2
InChIKeyDJXQZYRPUGHEHC-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

[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134623898
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134626421
3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134636979
[6-methoxy-3-(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134636475
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134637342
6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637241
5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride
CID 118845592
4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637060
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430

Frequently Asked Questions

What is the IUPAC name of [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol (CID 134637996) is [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol is OCc1nc(-c2cc(Cl)cc(Cl)c2Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is DJXQZYRPUGHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl6NO/c19-8-3-11(17(23)13(21)5-8)10-1-2-15(25-16(10)7-26)12-4-9(20)6-14(22)18(12)24/h1-6,26H,7H2.
What are the key properties of [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol?
[3,6-bis(2,3,5-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 [3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134637996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).