3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C12H8N2O3 — CID 44576723

IUPAC3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2occ(-c3cccnc3)c2[nH]1
InChIInChI=1S/C12H8N2O3/c15-12(16)9-4-10-11(14-9)8(6-17-10)7-2-1-3-13-5-7/h1-6,14H,(H,15,16)
InChIKeyBEQMEFJYIFFXFO-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.52
Rot. Bonds2

About 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 44576723) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID44576723
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2occ(-c3cccnc3)c2[nH]1
InChIInChI=1S/C12H8N2O3/c15-12(16)9-4-10-11(14-9)8(6-17-10)7-2-1-3-13-5-7/h1-6,14H,(H,15,16)
InChIKeyBEQMEFJYIFFXFO-UHFFFAOYSA-N
XLogP2.52
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 171706190
3-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44576721
3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 91411314
3,4-dipyridin-3-ylbenzoic acid
CID 46316417
5-pyridin-3-yl-1,3-oxazole-4-carboxylic acid
CID 28875589
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
3-pyridin-3-ylbenzoic acid
CID 2795575
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
8-pyridin-3-ylquinoline-6-carboxylic acid
CID 156718043
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
2-pyridin-3-yl-1-benzofuran-5-carboxylic acid
CID 66865227

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 44576723) is 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2occ(-c3cccnc3)c2[nH]1.
What is the InChIKey of 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is BEQMEFJYIFFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-12(16)9-4-10-11(14-9)8(6-17-10)7-2-1-3-13-5-7/h1-6,14H,(H,15,16).
What are the key properties of 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 44576723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).