2-bromofuro[3,2-b]pyridine-3-carboxylic acid

C8H4BrNO3 — CID 82622087

IUPAC2-bromofuro[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)oc2cccnc12
InChIInChI=1S/C8H4BrNO3/c9-7-5(8(11)12)6-4(13-7)2-1-3-10-6/h1-3H,(H,11,12)
InChIKeyVBQMESKUWDXRLF-UHFFFAOYSA-N
MW242.03 g/mol
LogP2.29
Rot. Bonds1

About 2-bromofuro[3,2-b]pyridine-3-carboxylic acid

2-bromofuro[3,2-b]pyridine-3-carboxylic acid (PubChem CID 82622087) has the molecular formula C8H4BrNO3 and a molecular weight of 242.03 g/mol. Its IUPAC name is 2-bromofuro[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromofuro[3,2-b]pyridine-3-carboxylic acid
PubChem CID82622087
Molecular FormulaC8H4BrNO3
Molecular Weight242.03 g/mol
Exact Mass240.94
IUPAC Name2-bromofuro[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)oc2cccnc12
InChIInChI=1S/C8H4BrNO3/c9-7-5(8(11)12)6-4(13-7)2-1-3-10-6/h1-3H,(H,11,12)
InChIKeyVBQMESKUWDXRLF-UHFFFAOYSA-N
XLogP2.29
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chlorofuro[3,2-b]pyridine-3-carboxamide
CID 144796801
quinoline-7,8-dicarboxylic acid
CID 19101920
2-amino-2-furo[3,2-b]pyridin-3-ylacetic acid
CID 84772218
7-fluoroquinoline-8-carboxylic acid
CID 71721093
(2-methylfuro[3,2-b]pyridin-3-yl) acetate
CID 10511904
quinoxaline-5,6,7,8-tetracarboxylic acid
CID 139964539
pyrido[2,3-b]indolizine-10-carboxylic acid
CID 112545488
1-bromofuro[3,2-f]quinoline-2-carboxylic acid
CID 175548798
8-oxopyrano[3,4-b]pyridine-6-carboxylic acid
CID 122714827
7-methoxyquinoline-8-carboxylic acid
CID 68774583
2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid
CID 81297346
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169

Frequently Asked Questions

What is the IUPAC name of 2-bromofuro[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-bromofuro[3,2-b]pyridine-3-carboxylic acid (CID 82622087) is 2-bromofuro[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromofuro[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-bromofuro[3,2-b]pyridine-3-carboxylic acid is O=C(O)c1c(Br)oc2cccnc12.
What is the InChIKey of 2-bromofuro[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is VBQMESKUWDXRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO3/c9-7-5(8(11)12)6-4(13-7)2-1-3-10-6/h1-3H,(H,11,12).
What are the key properties of 2-bromofuro[3,2-b]pyridine-3-carboxylic acid?
2-bromofuro[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromofuro[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 82622087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).