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

C11H6ClNO3 — CID 96595112

IUPAC7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccc(Cl)cc32)o1
InChIInChI=1S/C11H6ClNO3/c12-5-1-2-8-6(3-5)7-4-9(11(14)15)16-10(7)13-8/h1-4,13H,(H,14,15)
InChIKeyNKQIUOGMEYYXMM-UHFFFAOYSA-N
MW235.63 g/mol
LogP3.27
Rot. Bonds1

About 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid

7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid (PubChem CID 96595112) has the molecular formula C11H6ClNO3 and a molecular weight of 235.63 g/mol. Its IUPAC name is 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
PubChem CID96595112
Molecular FormulaC11H6ClNO3
Molecular Weight235.63 g/mol
Exact Mass235.00
IUPAC Name7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccc(Cl)cc32)o1
InChIInChI=1S/C11H6ClNO3/c12-5-1-2-8-6(3-5)7-4-9(11(14)15)16-10(7)13-8/h1-4,13H,(H,14,15)
InChIKeyNKQIUOGMEYYXMM-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

9-chloro-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724107
5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
CID 96595111
5-chloro-3-fluoro-1H-indole-2-carboxylic acid
CID 22934792
6-chloro-1-oxo-9H-thiopyrano[3,4-b]indole-3-carboxylic acid
CID 163409236
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
4-amino-5-fluoro-1-benzofuran-2-carboxylic acid
CID 82373023
4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid
CID 121001648
4,6-dichloro-1-benzofuran-2-carboxylic acid
CID 139957511
4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
CID 22312003
3-chloro-9H-pyrido[2,3-b]indole-6-carboxylic acid
CID 46185400
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
The IUPAC name of 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid (CID 96595112) is 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
The canonical SMILES for 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid is O=C(O)c1cc2c([nH]c3ccc(Cl)cc32)o1.
What is the InChIKey of 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
The InChIKey is NKQIUOGMEYYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO3/c12-5-1-2-8-6(3-5)7-4-9(11(14)15)16-10(7)13-8/h1-4,13H,(H,14,15).
What are the key properties of 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid?
7-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 7-chloro-4H-furo[2,3-b]indole-2-carboxylic acid is sourced from PubChem (CID 96595112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).