4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C12H12FN3 — CID 88909184

IUPAC4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFC1C=CC=C(C2=c3cc[nH]c3=NCC2)N1
InChIInChI=1S/C12H12FN3/c13-11-3-1-2-10(16-11)8-4-6-14-12-9(8)5-7-15-12/h1-3,5,7,11,16H,4,6H2,(H,14,15)
InChIKeyAIROECTWHVXMBQ-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.53
Rot. Bonds1

About 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 88909184) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID88909184
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFC1C=CC=C(C2=c3cc[nH]c3=NCC2)N1
InChIInChI=1S/C12H12FN3/c13-11-3-1-2-10(16-11)8-4-6-14-12-9(8)5-7-15-12/h1-3,5,7,11,16H,4,6H2,(H,14,15)
InChIKeyAIROECTWHVXMBQ-UHFFFAOYSA-N
XLogP0.53
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 88909184) is 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is FC1C=CC=C(C2=c3cc[nH]c3=NCC2)N1.
What is the InChIKey of 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AIROECTWHVXMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-11-3-1-2-10(16-11)8-4-6-14-12-9(8)5-7-15-12/h1-3,5,7,11,16H,4,6H2,(H,14,15).
What are the key properties of 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 217.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 88909184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).