3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid

C14H11NO2 — CID 158252708

IUPAC3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid
SMILESCc1cc2c(cn1)Cc1cc(C(=O)O)ccc1-2
InChIInChI=1S/C14H11NO2/c1-8-4-13-11(7-15-8)6-10-5-9(14(16)17)2-3-12(10)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGEHCTOHXQXLXIS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.66
Rot. Bonds1

About 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid

3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid (PubChem CID 158252708) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid
PubChem CID158252708
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid
SMILESCc1cc2c(cn1)Cc1cc(C(=O)O)ccc1-2
InChIInChI=1S/C14H11NO2/c1-8-4-13-11(7-15-8)6-10-5-9(14(16)17)2-3-12(10)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGEHCTOHXQXLXIS-UHFFFAOYSA-N
XLogP2.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15,24-tricarboxylic acid
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4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid?
The IUPAC name of 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid (CID 158252708) is 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid?
The canonical SMILES for 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid is Cc1cc2c(cn1)Cc1cc(C(=O)O)ccc1-2.
What is the InChIKey of 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid?
The InChIKey is GEHCTOHXQXLXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-8-4-13-11(7-15-8)6-10-5-9(14(16)17)2-3-12(10)13/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid?
3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9H-indeno[2,1-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 158252708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).