1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile

C17H14FN3 — CID 11608854

IUPAC1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESCc1c(C)n(Cc2ccc(F)cc2)c2c(C#N)nccc12
InChIInChI=1S/C17H14FN3/c1-11-12(2)21(10-13-3-5-14(18)6-4-13)17-15(11)7-8-20-16(17)9-19/h3-8H,10H2,1-2H3
InChIKeyZGTPDRMRMOXDAA-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.71
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile

1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile (PubChem CID 11608854) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile
PubChem CID11608854
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESCc1c(C)n(Cc2ccc(F)cc2)c2c(C#N)nccc12
InChIInChI=1S/C17H14FN3/c1-11-12(2)21(10-13-3-5-14(18)6-4-13)17-15(11)7-8-20-16(17)9-19/h3-8H,10H2,1-2H3
InChIKeyZGTPDRMRMOXDAA-UHFFFAOYSA-N
XLogP3.71
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile (CID 11608854) is 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile is Cc1c(C)n(Cc2ccc(F)cc2)c2c(C#N)nccc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
The InChIKey is ZGTPDRMRMOXDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-11-12(2)21(10-13-3-5-14(18)6-4-13)17-15(11)7-8-20-16(17)9-19/h3-8H,10H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile has a molecular weight of 279.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile is sourced from PubChem (CID 11608854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).