[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol

C12H8Cl3NO — CID 119006015

IUPAC[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)cnc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-10-2-1-7(4-11(10)14)8-3-9(6-17)12(15)16-5-8/h1-5,17H,6H2
InChIKeyUBWNRNNJKZLTQE-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.20
Rot. Bonds2

About [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol

[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol (PubChem CID 119006015) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
PubChem CID119006015
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)cnc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-10-2-1-7(4-11(10)14)8-3-9(6-17)12(15)16-5-8/h1-5,17H,6H2
InChIKeyUBWNRNNJKZLTQE-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-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
CID 134619774
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
[2-chloro-5-(2-fluorophenyl)-3-pyridinyl]methanol
CID 119021722
[5-chloro-2-(3,4-dichlorophenyl)phenyl]methanol
CID 71251754
4-(3,4-dichlorophenyl)phenol
CID 6452909
2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087087
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
6-chloro-5-(3,4-dichlorophenyl)pyridin-3-ol
CID 119002730
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
2-[2-chloro-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134619751
5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde
CID 133092831
[3-chloro-5-(3-fluorophenyl)-2-pyridinyl]methanol
CID 67155008

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol (CID 119006015) is [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol is OCc1cc(-c2ccc(Cl)c(Cl)c2)cnc1Cl.
What is the InChIKey of [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol?
The InChIKey is UBWNRNNJKZLTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-10-2-1-7(4-11(10)14)8-3-9(6-17)12(15)16-5-8/h1-5,17H,6H2.
What are the key properties of [2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol?
[2-chloro-5-(3,4-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-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 119006015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).