5-chlorofuro[2,3-b]pyridine-2-carboxylic acid

C8H4ClNO3 — CID 130674243

IUPAC5-chlorofuro[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cnc2o1
InChIInChI=1S/C8H4ClNO3/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChIKeyMJHJCHGVEQRDKB-UHFFFAOYSA-N
MW197.58 g/mol
LogP2.18
Rot. Bonds1

About 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid

5-chlorofuro[2,3-b]pyridine-2-carboxylic acid (PubChem CID 130674243) has the molecular formula C8H4ClNO3 and a molecular weight of 197.58 g/mol. Its IUPAC name is 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chlorofuro[2,3-b]pyridine-2-carboxylic acid
PubChem CID130674243
Molecular FormulaC8H4ClNO3
Molecular Weight197.58 g/mol
Exact Mass196.99
IUPAC Name5-chlorofuro[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cnc2o1
InChIInChI=1S/C8H4ClNO3/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChIKeyMJHJCHGVEQRDKB-UHFFFAOYSA-N
XLogP2.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid (CID 130674243) is 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(Cl)cnc2o1.
What is the InChIKey of 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is MJHJCHGVEQRDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO3/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12).
What are the key properties of 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid?
5-chlorofuro[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 197.58 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorofuro[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 130674243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).