5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid

C11H6ClNO3 — CID 96595111

IUPAC5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3c(Cl)cccc32)o1
InChIInChI=1S/C11H6ClNO3/c12-7-3-1-2-5-6-4-8(11(14)15)16-10(6)13-9(5)7/h1-4,13H,(H,14,15)
InChIKeyCCJLZPSAQPKNNI-UHFFFAOYSA-N
MW235.63 g/mol
LogP3.27
Rot. Bonds1

About 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid

5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid (PubChem CID 96595111) has the molecular formula C11H6ClNO3 and a molecular weight of 235.63 g/mol. Its IUPAC name is 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
PubChem CID96595111
Molecular FormulaC11H6ClNO3
Molecular Weight235.63 g/mol
Exact Mass235.00
IUPAC Name5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3c(Cl)cccc32)o1
InChIInChI=1S/C11H6ClNO3/c12-7-3-1-2-5-6-4-8(11(14)15)16-10(6)13-9(5)7/h1-4,13H,(H,14,15)
InChIKeyCCJLZPSAQPKNNI-UHFFFAOYSA-N
XLogP3.27
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
CID 96595112
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543
2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523
5-chloro-9-oxo-10H-acridine-4-carboxylic acid
CID 620439
8-chloro-1H-3,1-benzoxazine-2,4-dione
CID 517535
5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
CID 115007700
7-chloro-3-ethyl-1H-indole-2-carboxylic acid
CID 84624480
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325
7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724106
4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid
CID 121001648

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
The IUPAC name of 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid (CID 96595111) is 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid is O=C(O)c1cc2c([nH]c3c(Cl)cccc32)o1.
What is the InChIKey of 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
The InChIKey is CCJLZPSAQPKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO3/c12-7-3-1-2-5-6-4-8(11(14)15)16-10(6)13-9(5)7/h1-4,13H,(H,14,15).
What are the key properties of 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid has a molecular weight of 235.63 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid is sourced from PubChem (CID 96595111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).