7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid

C12H11NO2 — CID 142823695

IUPAC7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid
SMILESCC1=CC=c2ccc(C(=O)O)nc2=CC1
InChIInChI=1S/C12H11NO2/c1-8-2-4-9-5-7-11(12(14)15)13-10(9)6-3-8/h2,4-7H,3H2,1H3,(H,14,15)
InChIKeyLOMYBMYLKAWEIB-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.69
Rot. Bonds1

About 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid

7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid (PubChem CID 142823695) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid
PubChem CID142823695
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid
SMILESCC1=CC=c2ccc(C(=O)O)nc2=CC1
InChIInChI=1S/C12H11NO2/c1-8-2-4-9-5-7-11(12(14)15)13-10(9)6-3-8/h2,4-7H,3H2,1H3,(H,14,15)
InChIKeyLOMYBMYLKAWEIB-UHFFFAOYSA-N
XLogP0.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid?
The IUPAC name of 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid (CID 142823695) is 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid is CC1=CC=c2ccc(C(=O)O)nc2=CC1.
What is the InChIKey of 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid?
The InChIKey is LOMYBMYLKAWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-2-4-9-5-7-11(12(14)15)13-10(9)6-3-8/h2,4-7H,3H2,1H3,(H,14,15).
What are the key properties of 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid?
7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8H-cyclohepta[b]pyridine-2-carboxylic acid is sourced from PubChem (CID 142823695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).