3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine

C16H14ClN3O2 — CID 10470985

IUPAC3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine
SMILESCOc1cc(Cl)ccc1-c1nc(C)c(-c2cccnc2)n1O
InChIInChI=1S/C16H14ClN3O2/c1-10-15(11-4-3-7-18-9-11)20(21)16(19-10)13-6-5-12(17)8-14(13)22-2/h3-9,21H,1-2H3
InChIKeyGYAKYWLVKZVNJV-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.82
Rot. Bonds3

About 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine

3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine (PubChem CID 10470985) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine
PubChem CID10470985
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine
SMILESCOc1cc(Cl)ccc1-c1nc(C)c(-c2cccnc2)n1O
InChIInChI=1S/C16H14ClN3O2/c1-10-15(11-4-3-7-18-9-11)20(21)16(19-10)13-6-5-12(17)8-14(13)22-2/h3-9,21H,1-2H3
InChIKeyGYAKYWLVKZVNJV-UHFFFAOYSA-N
XLogP3.82
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine?
The IUPAC name of 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine (CID 10470985) is 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine.
What is the SMILES notation for 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine?
The canonical SMILES for 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine is COc1cc(Cl)ccc1-c1nc(C)c(-c2cccnc2)n1O.
What is the InChIKey of 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine?
The InChIKey is GYAKYWLVKZVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-10-15(11-4-3-7-18-9-11)20(21)16(19-10)13-6-5-12(17)8-14(13)22-2/h3-9,21H,1-2H3.
What are the key properties of 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine?
3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine has a molecular weight of 315.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine is sourced from PubChem (CID 10470985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).