4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol

C17H15N3O2 — CID 126028404

IUPAC4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol
SMILESCOc1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cn1
InChIInChI=1S/C17H15N3O2/c1-22-17-9-4-13(11-19-17)18-12-15-3-2-10-20(15)14-5-7-16(21)8-6-14/h2-12,21H,1H3/b18-12+
InChIKeyAGPSIRTXQPCANB-LDADJPATSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds4

About 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol

4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol (PubChem CID 126028404) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol
PubChem CID126028404
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol
SMILESCOc1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cn1
InChIInChI=1S/C17H15N3O2/c1-22-17-9-4-13(11-19-17)18-12-15-3-2-10-20(15)14-5-7-16(21)8-6-14/h2-12,21H,1H3/b18-12+
InChIKeyAGPSIRTXQPCANB-LDADJPATSA-N
XLogP3.34
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol (CID 126028404) is 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol is COc1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol?
The InChIKey is AGPSIRTXQPCANB-LDADJPATSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-17-9-4-13(11-19-17)18-12-15-3-2-10-20(15)14-5-7-16(21)8-6-14/h2-12,21H,1H3/b18-12+.
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol?
4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol has a molecular weight of 293.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol is sourced from PubChem (CID 126028404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).