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

C16H14ClFN2 — CID 141136075

IUPAC5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2cccc(F)c2)c2cnc(Cl)cc12
InChIInChI=1S/C16H14ClFN2/c1-10-11(2)20(9-12-4-3-5-13(18)6-12)15-8-19-16(17)7-14(10)15/h3-8H,9H2,1-2H3
InChIKeyXRDXEHLVEXAENX-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.49
Rot. Bonds2

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

5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 141136075) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID141136075
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2cccc(F)c2)c2cnc(Cl)cc12
InChIInChI=1S/C16H14ClFN2/c1-10-11(2)20(9-12-4-3-5-13(18)6-12)15-8-19-16(17)7-14(10)15/h3-8H,9H2,1-2H3
InChIKeyXRDXEHLVEXAENX-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.49
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-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136099
1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
CID 67141869
5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11640443
3-[[5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]benzonitrile
CID 11495445
(1-benzyl-2,3-dimethylindol-5-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291085
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
1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine;hydrochloride
CID 67141704
7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11683091
2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 1487315
5-[[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 129206419
[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanethiol
CID 82333392

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 141136075) is 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(Cc2cccc(F)c2)c2cnc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is XRDXEHLVEXAENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-10-11(2)20(9-12-4-3-5-13(18)6-12)15-8-19-16(17)7-14(10)15/h3-8H,9H2,1-2H3.
What are the key properties of 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 288.75 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141136075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).