3-fluoro-1H-pyrrolo[2,3-b]pyridine

C7H5FN2 — CID 20784528

IUPAC3-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1c[nH]c2ncccc12
InChIInChI=1S/C7H5FN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKeyPASBFEOKJALVMO-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.70
Rot. Bonds

About 3-fluoro-1H-pyrrolo[2,3-b]pyridine

3-fluoro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 20784528) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 3-fluoro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-fluoro-1H-pyrrolo[2,3-b]pyridine
PubChem CID20784528
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name3-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1c[nH]c2ncccc12
InChIInChI=1S/C7H5FN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKeyPASBFEOKJALVMO-UHFFFAOYSA-N
XLogP1.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
1H-pyrrolo[2,3-b]pyridin-3-yl formate
CID 57163255
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167213939
N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide
CID 174976610
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-fluoro-1H-pyrrolo[2,3-b]pyridine (CID 20784528) is 3-fluoro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-fluoro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-fluoro-1H-pyrrolo[2,3-b]pyridine is Fc1c[nH]c2ncccc12.
What is the InChIKey of 3-fluoro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PASBFEOKJALVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10).
What are the key properties of 3-fluoro-1H-pyrrolo[2,3-b]pyridine?
3-fluoro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 136.13 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 20784528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).