5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine

C12H8FN3 — CID 165444709

IUPAC5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESFc1cc2c(-c3cccnc3)c[nH]c2cn1
InChIInChI=1S/C12H8FN3/c13-12-4-9-10(6-15-11(9)7-16-12)8-2-1-3-14-5-8/h1-7,15H
InChIKeyHGLMGCBQHRAEHP-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.76
Rot. Bonds1

About 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine

5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 165444709) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID165444709
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESFc1cc2c(-c3cccnc3)c[nH]c2cn1
InChIInChI=1S/C12H8FN3/c13-12-4-9-10(6-15-11(9)7-16-12)8-2-1-3-14-5-8/h1-7,15H
InChIKeyHGLMGCBQHRAEHP-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine (CID 165444709) is 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine is Fc1cc2c(-c3cccnc3)c[nH]c2cn1.
What is the InChIKey of 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is HGLMGCBQHRAEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-12-4-9-10(6-15-11(9)7-16-12)8-2-1-3-14-5-8/h1-7,15H.
What are the key properties of 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 213.22 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 165444709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).