1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride

C24H22ClFN2 — CID 67141704

IUPAC1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(Cc2cccc(F)c2)c2c(/C=C/c3ccccc3)nccc12.Cl
InChIInChI=1S/C24H21FN2.ClH/c1-17-18(2)27(16-20-9-6-10-21(25)15-20)24-22(17)13-14-26-23(24)12-11-19-7-4-3-5-8-19;/h3-15H,16H2,1-2H3;1H/b12-11+;
InChIKeyMMYXCWQQLOYGSM-CALJPSDSSA-N
MW392.91 g/mol
LogP6.43
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride

1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 67141704) has the molecular formula C24H22ClFN2 and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID67141704
Molecular FormulaC24H22ClFN2
Molecular Weight392.91 g/mol
Exact Mass392.15
IUPAC Name1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(Cc2cccc(F)c2)c2c(/C=C/c3ccccc3)nccc12.Cl
InChIInChI=1S/C24H21FN2.ClH/c1-17-18(2)27(16-20-9-6-10-21(25)15-20)24-22(17)13-14-26-23(24)12-11-19-7-4-3-5-8-19;/h3-15H,16H2,1-2H3;1H/b12-11+;
InChIKeyMMYXCWQQLOYGSM-CALJPSDSSA-N
XLogP6.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride (CID 67141704) is 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride is Cc1c(C)n(Cc2cccc(F)c2)c2c(/C=C/c3ccccc3)nccc12.Cl.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is MMYXCWQQLOYGSM-CALJPSDSSA-N. The full InChI is InChI=1S/C24H21FN2.ClH/c1-17-18(2)27(16-20-9-6-10-21(25)15-20)24-22(17)13-14-26-23(24)12-11-19-7-4-3-5-8-19;/h3-15H,16H2,1-2H3;1H/b12-11+;.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride?
1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 67141704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).