7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid

C16H12ClNO2 — CID 116533738

IUPAC7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CC1)-c1ccc(Cl)cc1C2
InChIInChI=1S/C16H12ClNO2/c17-11-3-4-12-9(6-11)5-10-7-13(16(19)20)14(8-1-2-8)18-15(10)12/h3-4,6-8H,1-2,5H2,(H,19,20)
InChIKeyCGVKXTGEQBXHAJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.88
Rot. Bonds2

About 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid

7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid (PubChem CID 116533738) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid
PubChem CID116533738
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CC1)-c1ccc(Cl)cc1C2
InChIInChI=1S/C16H12ClNO2/c17-11-3-4-12-9(6-11)5-10-7-13(16(19)20)14(8-1-2-8)18-15(10)12/h3-4,6-8H,1-2,5H2,(H,19,20)
InChIKeyCGVKXTGEQBXHAJ-UHFFFAOYSA-N
XLogP3.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid (CID 116533738) is 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1C1CC1)-c1ccc(Cl)cc1C2.
What is the InChIKey of 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid?
The InChIKey is CGVKXTGEQBXHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-11-3-4-12-9(6-11)5-10-7-13(16(19)20)14(8-1-2-8)18-15(10)12/h3-4,6-8H,1-2,5H2,(H,19,20).
What are the key properties of 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid?
7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).