3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

C11H12FN3 — CID 176758421

IUPAC3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)C(C)(F)CN2
InChIInChI=1S/C11H12FN3/c1-6-8(4-13)7(2)15-10-9(6)11(3,12)5-14-10/h5H2,1-3H3,(H,14,15)
InChIKeyPPCQSKKIEGPXEM-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.18
Rot. Bonds

About 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 176758421) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID176758421
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)C(C)(F)CN2
InChIInChI=1S/C11H12FN3/c1-6-8(4-13)7(2)15-10-9(6)11(3,12)5-14-10/h5H2,1-3H3,(H,14,15)
InChIKeyPPCQSKKIEGPXEM-UHFFFAOYSA-N
XLogP2.18
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (CID 176758421) is 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is Cc1nc2c(c(C)c1C#N)C(C)(F)CN2.
What is the InChIKey of 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is PPCQSKKIEGPXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-6-8(4-13)7(2)15-10-9(6)11(3,12)5-14-10/h5H2,1-3H3,(H,14,15).
What are the key properties of 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4,6-trimethyl-1,2-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 176758421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).