3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine

C11H13FN2 — CID 176703130

IUPAC3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCC(C)c1cnc2c(F)cn(C)c2c1
InChIInChI=1S/C11H13FN2/c1-7(2)8-4-10-11(13-5-8)9(12)6-14(10)3/h4-7H,1-3H3
InChIKeyBNQBATQGCJVCHJ-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.84
Rot. Bonds1

About 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine

3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine (PubChem CID 176703130) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine
PubChem CID176703130
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCC(C)c1cnc2c(F)cn(C)c2c1
InChIInChI=1S/C11H13FN2/c1-7(2)8-4-10-11(13-5-8)9(12)6-14(10)3/h4-7H,1-3H3
InChIKeyBNQBATQGCJVCHJ-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine (CID 176703130) is 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine is CC(C)c1cnc2c(F)cn(C)c2c1.
What is the InChIKey of 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine?
The InChIKey is BNQBATQGCJVCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-7(2)8-4-10-11(13-5-8)9(12)6-14(10)3/h4-7H,1-3H3.
What are the key properties of 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine?
3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine has a molecular weight of 192.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 176703130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).