2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol

C16H14ClN3O2 — CID 156844564

IUPAC2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
SMILESOCCc1nc(Cl)ccc1-c1ccc(-n2cccn2)cc1O
InChIInChI=1S/C16H14ClN3O2/c17-16-5-4-12(14(19-16)6-9-21)13-3-2-11(10-15(13)22)20-8-1-7-18-20/h1-5,7-8,10,21-22H,6,9H2
InChIKeyXZWKSFILNPLDDT-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.83
Rot. Bonds4

About 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol

2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol (PubChem CID 156844564) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
PubChem CID156844564
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
SMILESOCCc1nc(Cl)ccc1-c1ccc(-n2cccn2)cc1O
InChIInChI=1S/C16H14ClN3O2/c17-16-5-4-12(14(19-16)6-9-21)13-3-2-11(10-15(13)22)20-8-1-7-18-20/h1-5,7-8,10,21-22H,6,9H2
InChIKeyXZWKSFILNPLDDT-UHFFFAOYSA-N
XLogP2.83
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol (CID 156844564) is 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol is OCCc1nc(Cl)ccc1-c1ccc(-n2cccn2)cc1O.
What is the InChIKey of 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
The InChIKey is XZWKSFILNPLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-16-5-4-12(14(19-16)6-9-21)13-3-2-11(10-15(13)22)20-8-1-7-18-20/h1-5,7-8,10,21-22H,6,9H2.
What are the key properties of 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol has a molecular weight of 315.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 156844564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).