1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine

C23H21ClN2 — CID 67152660

IUPAC1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(-c3cccc(Cl)c3)c2cn1
InChIInChI=1S/C23H21ClN2/c1-3-16-7-5-8-17(4-2)23(16)21-13-18-11-12-26(22(18)15-25-21)20-10-6-9-19(24)14-20/h5-15H,3-4H2,1-2H3
InChIKeyRTMHMLQSFKCVSM-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.47
Rot. Bonds4

About 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine

1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67152660) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine
PubChem CID67152660
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(-c3cccc(Cl)c3)c2cn1
InChIInChI=1S/C23H21ClN2/c1-3-16-7-5-8-17(4-2)23(16)21-13-18-11-12-26(22(18)15-25-21)20-10-6-9-19(24)14-20/h5-15H,3-4H2,1-2H3
InChIKeyRTMHMLQSFKCVSM-UHFFFAOYSA-N
XLogP6.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine (CID 67152660) is 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine is CCc1cccc(CC)c1-c1cc2ccn(-c3cccc(Cl)c3)c2cn1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is RTMHMLQSFKCVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-3-16-7-5-8-17(4-2)23(16)21-13-18-11-12-26(22(18)15-25-21)20-10-6-9-19(24)14-20/h5-15H,3-4H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine?
1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 360.89 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(2,6-diethylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67152660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).