7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine

C19H19ClN2O — CID 11674963

IUPAC7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
SMILESC=CCn1c(C)c(C)c2ccnc(COc3ccccc3Cl)c21
InChIInChI=1S/C19H19ClN2O/c1-4-11-22-14(3)13(2)15-9-10-21-17(19(15)22)12-23-18-8-6-5-7-16(18)20/h4-10H,1,11-12H2,2-3H3
InChIKeyCQRXTWMFDOUTOD-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.07
Rot. Bonds5

About 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine

7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine (PubChem CID 11674963) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
PubChem CID11674963
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
SMILESC=CCn1c(C)c(C)c2ccnc(COc3ccccc3Cl)c21
InChIInChI=1S/C19H19ClN2O/c1-4-11-22-14(3)13(2)15-9-10-21-17(19(15)22)12-23-18-8-6-5-7-16(18)20/h4-10H,1,11-12H2,2-3H3
InChIKeyCQRXTWMFDOUTOD-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine (CID 11674963) is 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine is C=CCn1c(C)c(C)c2ccnc(COc3ccccc3Cl)c21.
What is the InChIKey of 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine?
The InChIKey is CQRXTWMFDOUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-4-11-22-14(3)13(2)15-9-10-21-17(19(15)22)12-23-18-8-6-5-7-16(18)20/h4-10H,1,11-12H2,2-3H3.
What are the key properties of 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine?
7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine has a molecular weight of 326.83 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11674963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).