2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine

C11H10F2N2 — CID 141413118

IUPAC2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(c2cc3cccnc3[nH]2)CC1(F)F
InChIInChI=1S/C11H10F2N2/c1-10(6-11(10,12)13)8-5-7-3-2-4-14-9(7)15-8/h2-5H,6H2,1H3,(H,14,15)
InChIKeySQUUNKQRYYTKBJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.86
Rot. Bonds1

About 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine

2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141413118) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID141413118
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(c2cc3cccnc3[nH]2)CC1(F)F
InChIInChI=1S/C11H10F2N2/c1-10(6-11(10,12)13)8-5-7-3-2-4-14-9(7)15-8/h2-5H,6H2,1H3,(H,14,15)
InChIKeySQUUNKQRYYTKBJ-UHFFFAOYSA-N
XLogP2.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 145385089
2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile
CID 175727387
1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol
CID 175727434
2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 96761843
2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine
CID 118826300
3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione
CID 67082315
2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline
CID 174792976
2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline
CID 174899050
2-ethenyl-1H-pyrrolo[2,3-b]pyridine
CID 67281038
2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine
CID 154956775
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine (CID 141413118) is 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine is CC1(c2cc3cccnc3[nH]2)CC1(F)F.
What is the InChIKey of 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SQUUNKQRYYTKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-10(6-11(10,12)13)8-5-7-3-2-4-14-9(7)15-8/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine?
2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 208.21 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141413118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).