4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine

C16H13FN2 — CID 166375879

IUPAC4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cc2c(c(-c3ccnc4[nH]ccc34)c1)CCC2
InChIInChI=1S/C16H13FN2/c17-11-8-10-2-1-3-12(10)15(9-11)13-4-6-18-16-14(13)5-7-19-16/h4-9H,1-3H2,(H,18,19)
InChIKeyXCUFPDQYLRMGQS-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.86
Rot. Bonds1

About 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166375879) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID166375879
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cc2c(c(-c3ccnc4[nH]ccc34)c1)CCC2
InChIInChI=1S/C16H13FN2/c17-11-8-10-2-1-3-12(10)15(9-11)13-4-6-18-16-14(13)5-7-19-16/h4-9H,1-3H2,(H,18,19)
InChIKeyXCUFPDQYLRMGQS-UHFFFAOYSA-N
XLogP3.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 11999610
4-(6-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 11999615
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 170449822
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164947030
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 58896795
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603457
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728
4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166375892
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-pyrrolo[2,3-b]pyridine
CID 67356458
4-[2-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760574

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 166375879) is 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine is Fc1cc2c(c(-c3ccnc4[nH]ccc34)c1)CCC2.
What is the InChIKey of 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XCUFPDQYLRMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-11-8-10-2-1-3-12(10)15(9-11)13-4-6-18-16-14(13)5-7-19-16/h4-9H,1-3H2,(H,18,19).
What are the key properties of 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 252.29 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166375879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).