[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol

C12H8Cl3NO — CID 119006259

IUPAC[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(-c2cc(Cl)cc(Cl)c2)c(Cl)n1
InChIInChI=1S/C12H8Cl3NO/c13-8-3-7(4-9(14)5-8)11-2-1-10(6-17)16-12(11)15/h1-5,17H,6H2
InChIKeyZBQUMXGFGSFBNW-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.20
Rot. Bonds2

About [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol

[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol (PubChem CID 119006259) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
PubChem CID119006259
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(-c2cc(Cl)cc(Cl)c2)c(Cl)n1
InChIInChI=1S/C12H8Cl3NO/c13-8-3-7(4-9(14)5-8)11-2-1-10(6-17)16-12(11)15/h1-5,17H,6H2
InChIKeyZBQUMXGFGSFBNW-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134617493
[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
CID 134227733
[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
CID 119008277
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
[2-(3,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729193
[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636257
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131870429
2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087361
2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
CID 133090701
(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol
CID 59504182
2,5-dichloro-3-(3,5-dichlorophenyl)pyridine
CID 119015599

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol (CID 119006259) is [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol is OCc1ccc(-c2cc(Cl)cc(Cl)c2)c(Cl)n1.
What is the InChIKey of [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is ZBQUMXGFGSFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-8-3-7(4-9(14)5-8)11-2-1-10(6-17)16-12(11)15/h1-5,17H,6H2.
What are the key properties of [6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol?
[6-chloro-5-(3,5-dichlorophenyl)-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-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 119006259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).