1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine

C17H17ClN2 — CID 122694770

IUPAC1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine
SMILESCCCc1cnc2cc(C)n(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H17ClN2/c1-3-4-13-10-17-16(19-11-13)9-12(2)20(17)15-7-5-14(18)6-8-15/h5-11H,3-4H2,1-2H3
InChIKeyYFDQGVKOHBBLCR-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.94
Rot. Bonds3

About 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine

1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine (PubChem CID 122694770) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine
PubChem CID122694770
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine
SMILESCCCc1cnc2cc(C)n(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H17ClN2/c1-3-4-13-10-17-16(19-11-13)9-12(2)20(17)15-7-5-14(18)6-8-15/h5-11H,3-4H2,1-2H3
InChIKeyYFDQGVKOHBBLCR-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine (CID 122694770) is 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine is CCCc1cnc2cc(C)n(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine?
The InChIKey is YFDQGVKOHBBLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-3-4-13-10-17-16(19-11-13)9-12(2)20(17)15-7-5-14(18)6-8-15/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine?
1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine has a molecular weight of 284.79 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 122694770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).