5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride

C15H13Cl3N2 — CID 162045728

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride
SMILESCc1c(Cl)cnc2c1ccn2Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H12Cl2N2.ClH/c1-10-13-6-7-19(15(13)18-8-14(10)17)9-11-2-4-12(16)5-3-11;/h2-8H,9H2,1H3;1H
InChIKeyDLYNQFZTUUAJDB-UHFFFAOYSA-N
MW327.64 g/mol
LogP5.12
Rot. Bonds2

About 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride

5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride (PubChem CID 162045728) has the molecular formula C15H13Cl3N2 and a molecular weight of 327.64 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride
PubChem CID162045728
Molecular FormulaC15H13Cl3N2
Molecular Weight327.64 g/mol
Exact Mass326.01
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride
SMILESCc1c(Cl)cnc2c1ccn2Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H12Cl2N2.ClH/c1-10-13-6-7-19(15(13)18-8-14(10)17)9-11-2-4-12(16)5-3-11;/h2-8H,9H2,1H3;1H
InChIKeyDLYNQFZTUUAJDB-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.64
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 71235003
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole
CID 118121664
5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
CID 135248883
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
1-[(4-chlorophenyl)methyl]-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine
CID 11646937
5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136099
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
5-bromo-3-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyrazine
CID 155648329
2-chloro-9-[(4-chlorophenyl)methyl]purine
CID 24904102
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2,4-triazole
CID 58259865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride (CID 162045728) is 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride is Cc1c(Cl)cnc2c1ccn2Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride?
The InChIKey is DLYNQFZTUUAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2.ClH/c1-10-13-6-7-19(15(13)18-8-14(10)17)9-11-2-4-12(16)5-3-11;/h2-8H,9H2,1H3;1H.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride?
5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride has a molecular weight of 327.64 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-4-methylpyrrolo[2,3-b]pyridine;hydrochloride is sourced from PubChem (CID 162045728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).