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

C12H8Cl3NO — CID 134630403

IUPAC[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H8Cl3NO/c13-9-5-11(15)10(14)4-8(9)12-3-1-2-7(6-17)16-12/h1-5,17H,6H2
InChIKeyPQVNGUWCZYMLMC-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.20
Rot. Bonds2

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

[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol (PubChem CID 134630403) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
PubChem CID134630403
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H8Cl3NO/c13-9-5-11(15)10(14)4-8(9)12-3-1-2-7(6-17)16-12/h1-5,17H,6H2
InChIKeyPQVNGUWCZYMLMC-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.20
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

6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134630401
6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
CID 134630402
[6-(2-methoxyphenyl)-2-pyridinyl]methanol
CID 24730094
2-(2-chloro-4-fluorophenyl)-6-propylpyridine
CID 102345824
[6-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 22566603
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
6-(2-chloro-4-methylphenyl)pyridin-2-amine
CID 165447815
3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
CID 165352055
2,6-bis(bromomethyl)pyridine;[6-(hydroxymethyl)-2-pyridinyl]methanol
CID 158197144
(6-ethyl-2-pyridinyl)methanol
CID 10749240
[6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 62254104
2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
CID 133086502

Frequently Asked Questions

What is the IUPAC name of [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol (CID 134630403) is [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol is OCc1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is PQVNGUWCZYMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-9-5-11(15)10(14)4-8(9)12-3-1-2-7(6-17)16-12/h1-5,17H,6H2.
What are the key properties of [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol?
[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol has a molecular weight of 288.56 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134630403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).