4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C12H8FN3 — CID 70728319

IUPAC4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16)
InChIKeyIKSVOVRMDGWNBK-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.76
Rot. Bonds1

About 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70728319) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID70728319
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16)
InChIKeyIKSVOVRMDGWNBK-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 70728319) is 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is Fc1cnccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IKSVOVRMDGWNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16).
What are the key properties of 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]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 4-(3-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70728319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).