[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol

C18H9Cl6NO — CID 134623378

IUPAC[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncc(-c2cc(Cl)c(Cl)cc2Cl)cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H9Cl6NO/c19-12-4-16(23)14(21)2-9(12)8-1-11(18(7-26)25-6-8)10-3-15(22)17(24)5-13(10)20/h1-6,26H,7H2
InChIKeyQVHONIHELNMPCS-UHFFFAOYSA-N
MW467.99 g/mol
LogP7.83
Rot. Bonds3

About [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol

[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol (PubChem CID 134623378) has the molecular formula C18H9Cl6NO and a molecular weight of 467.99 g/mol. Its IUPAC name is [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
PubChem CID134623378
Molecular FormulaC18H9Cl6NO
Molecular Weight467.99 g/mol
Exact Mass464.88
IUPAC Name[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncc(-c2cc(Cl)c(Cl)cc2Cl)cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H9Cl6NO/c19-12-4-16(23)14(21)2-9(12)8-1-11(18(7-26)25-6-8)10-3-15(22)17(24)5-13(10)20/h1-6,26H,7H2
InChIKeyQVHONIHELNMPCS-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-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636116
2-[5-fluoro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093945
1,2,4-trichloro-5-phenylbenzene
CID 27514
3-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 134637718
2,4,5-tris(2,4,5-trichlorophenyl)pyridine
CID 134637766
[3-chloro-5-(3-fluorophenyl)-2-pyridinyl]methanol
CID 67155008
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134625713
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134628594
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
[2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 133086599

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol (CID 134623378) is [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol is OCc1ncc(-c2cc(Cl)c(Cl)cc2Cl)cc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is QVHONIHELNMPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl6NO/c19-12-4-16(23)14(21)2-9(12)8-1-11(18(7-26)25-6-8)10-3-15(22)17(24)5-13(10)20/h1-6,26H,7H2.
What are the key properties of [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
[3,5-bis(2,4,5-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 [3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134623378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).