[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol

C13H8Cl5NO2 — CID 134620848

IUPAC[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
SMILESCOc1ncc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1CO
InChIInChI=1S/C13H8Cl5NO2/c1-21-13-6(4-20)2-5(3-19-13)7-8(14)10(16)12(18)11(17)9(7)15/h2-3,20H,4H2,1H3
InChIKeyCIDGJRGNYIHGNK-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.52
Rot. Bonds3

About [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol

[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol (PubChem CID 134620848) has the molecular formula C13H8Cl5NO2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
PubChem CID134620848
Molecular FormulaC13H8Cl5NO2
Molecular Weight387.48 g/mol
Exact Mass384.90
IUPAC Name[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
SMILESCOc1ncc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1CO
InChIInChI=1S/C13H8Cl5NO2/c1-21-13-6(4-20)2-5(3-19-13)7-8(14)10(16)12(18)11(17)9(7)15/h2-3,20H,4H2,1H3
InChIKeyCIDGJRGNYIHGNK-UHFFFAOYSA-N
XLogP5.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol (CID 134620848) is [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol is COc1ncc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1CO.
What is the InChIKey of [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
The InChIKey is CIDGJRGNYIHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl5NO2/c1-21-13-6(4-20)2-5(3-19-13)7-8(14)10(16)12(18)11(17)9(7)15/h2-3,20H,4H2,1H3.
What are the key properties of [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol has a molecular weight of 387.48 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 134620848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).