5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

C16H14Cl2N2 — CID 141136099

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccc(Cl)cc2)c2cnc(Cl)cc12
InChIInChI=1S/C16H14Cl2N2/c1-10-11(2)20(9-12-3-5-13(17)6-4-12)15-8-19-16(18)7-14(10)15/h3-8H,9H2,1-2H3
InChIKeyPQVIMEHJPSTDHQ-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.01
Rot. Bonds2

About 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 141136099) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID141136099
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccc(Cl)cc2)c2cnc(Cl)cc12
InChIInChI=1S/C16H14Cl2N2/c1-10-11(2)20(9-12-3-5-13(17)6-4-12)15-8-19-16(18)7-14(10)15/h3-8H,9H2,1-2H3
InChIKeyPQVIMEHJPSTDHQ-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136075
5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridine
CID 141136063
3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine
CID 141136090
4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
CID 143599776
4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2,4-triazole
CID 58259865
1-benzyl-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dimethylindole-5-carboxamide
CID 19283645
1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine
CID 67984828
1-benzyl-5-bromo-2,3-dimethylindole
CID 25228820
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 35333872
N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67141556
7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11495715
1-[(4-chlorophenyl)methyl]-2,3-dimethyl-N-(3-piperidin-1-ylpropyl)indole-5-carboxamide
CID 20940278

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 141136099) is 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(Cc2ccc(Cl)cc2)c2cnc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is PQVIMEHJPSTDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-11(2)20(9-12-3-5-13(17)6-4-12)15-8-19-16(18)7-14(10)15/h3-8H,9H2,1-2H3.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 305.21 g/mol, XLogP of 5.01, 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]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141136099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).