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

C12H8Cl3NO — CID 119008277

IUPAC[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(-c2cc(Cl)cc(Cl)c2)nc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-17)12(15)16-11/h1-5,17H,6H2
InChIKeyBHJVKUFALVJLIO-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.20
Rot. Bonds2

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

[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol (PubChem CID 119008277) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
PubChem CID119008277
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(-c2cc(Cl)cc(Cl)c2)nc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-17)12(15)16-11/h1-5,17H,6H2
InChIKeyBHJVKUFALVJLIO-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-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 118999964
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
CID 58333500
[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
CID 119006259
[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride
CID 117071690
2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094772
2-(3,5-dichlorophenyl)-6-fluoropyridine
CID 118808261
[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
CID 156825890
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]methanol
CID 82452812

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol (CID 119008277) is [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol is OCc1ccc(-c2cc(Cl)cc(Cl)c2)nc1Cl.
What is the InChIKey of [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol?
The InChIKey is BHJVKUFALVJLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-17)12(15)16-11/h1-5,17H,6H2.
What are the key properties of [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol?
[2-chloro-6-(3,5-dichlorophenyl)-3-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 [2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 119008277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).