7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride

C20H24Cl2N2 — CID 67141651

IUPAC7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(CCC(C)C)c2c(-c3ccc(Cl)cc3)nccc12.Cl
InChIInChI=1S/C20H23ClN2.ClH/c1-13(2)10-12-23-15(4)14(3)18-9-11-22-19(20(18)23)16-5-7-17(21)8-6-16;/h5-9,11,13H,10,12H2,1-4H3;1H
InChIKeyBRXUZJPNLWRHMR-UHFFFAOYSA-N
MW363.33 g/mol
LogP6.44
Rot. Bonds4

About 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride

7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 67141651) has the molecular formula C20H24Cl2N2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID67141651
Molecular FormulaC20H24Cl2N2
Molecular Weight363.33 g/mol
Exact Mass362.13
IUPAC Name7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(CCC(C)C)c2c(-c3ccc(Cl)cc3)nccc12.Cl
InChIInChI=1S/C20H23ClN2.ClH/c1-13(2)10-12-23-15(4)14(3)18-9-11-22-19(20(18)23)16-5-7-17(21)8-6-16;/h5-9,11,13H,10,12H2,1-4H3;1H
InChIKeyBRXUZJPNLWRHMR-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.33
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride (CID 67141651) is 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride is Cc1c(C)n(CCC(C)C)c2c(-c3ccc(Cl)cc3)nccc12.Cl.
What is the InChIKey of 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is BRXUZJPNLWRHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2.ClH/c1-13(2)10-12-23-15(4)14(3)18-9-11-22-19(20(18)23)16-5-7-17(21)8-6-16;/h5-9,11,13H,10,12H2,1-4H3;1H.
What are the key properties of 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride?
7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 363.33 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 67141651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).