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

C18H18Cl2N2 — CID 67141451

IUPAC7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESC=CCn1c(C)c(C)c2ccnc(-c3ccc(Cl)cc3)c21.Cl
InChIInChI=1S/C18H17ClN2.ClH/c1-4-11-21-13(3)12(2)16-9-10-20-17(18(16)21)14-5-7-15(19)8-6-14;/h4-10H,1,11H2,2-3H3;1H
InChIKeySCPHRTCOZXJJCX-UHFFFAOYSA-N
MW333.26 g/mol
LogP5.58
Rot. Bonds3

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

7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 67141451) has the molecular formula C18H18Cl2N2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID67141451
Molecular FormulaC18H18Cl2N2
Molecular Weight333.26 g/mol
Exact Mass332.08
IUPAC Name7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESC=CCn1c(C)c(C)c2ccnc(-c3ccc(Cl)cc3)c21.Cl
InChIInChI=1S/C18H17ClN2.ClH/c1-4-11-21-13(3)12(2)16-9-10-20-17(18(16)21)14-5-7-15(19)8-6-14;/h4-10H,1,11H2,2-3H3;1H
InChIKeySCPHRTCOZXJJCX-UHFFFAOYSA-N
XLogP5.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.26
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride (CID 67141451) is 7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride is C=CCn1c(C)c(C)c2ccnc(-c3ccc(Cl)cc3)c21.Cl.
What is the InChIKey of 7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is SCPHRTCOZXJJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2.ClH/c1-4-11-21-13(3)12(2)16-9-10-20-17(18(16)21)14-5-7-15(19)8-6-14;/h4-10H,1,11H2,2-3H3;1H.
What are the key properties of 7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride?
7-(4-chlorophenyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 5.58, 3 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-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 67141451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).