4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C11H13FN2 — CID 130179083

IUPAC4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(F)c(C(C)C)cnc2[nH]1
InChIInChI=1S/C11H13FN2/c1-6(2)9-5-13-11-8(10(9)12)4-7(3)14-11/h4-6H,1-3H3,(H,13,14)
InChIKeyGUJKOEDCBCUHCW-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.13
Rot. Bonds1

About 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 130179083) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID130179083
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(F)c(C(C)C)cnc2[nH]1
InChIInChI=1S/C11H13FN2/c1-6(2)9-5-13-11-8(10(9)12)4-7(3)14-11/h4-6H,1-3H3,(H,13,14)
InChIKeyGUJKOEDCBCUHCW-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 130179083) is 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is Cc1cc2c(F)c(C(C)C)cnc2[nH]1.
What is the InChIKey of 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GUJKOEDCBCUHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-6(2)9-5-13-11-8(10(9)12)4-7(3)14-11/h4-6H,1-3H3,(H,13,14).
What are the key properties of 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 192.24 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130179083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).