4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride

C11H10ClNO2 — CID 158120626

IUPAC4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CN=C2C=CC=CC=C2C1
InChIInChI=1S/C11H9NO2.ClH/c13-11(14)9-6-8-4-2-1-3-5-10(8)12-7-9;/h1-5,7H,6H2,(H,13,14);1H
InChIKeyJSOILMJIWRVSNX-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.27
Rot. Bonds1

About 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride

4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 158120626) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride
PubChem CID158120626
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CN=C2C=CC=CC=C2C1
InChIInChI=1S/C11H9NO2.ClH/c13-11(14)9-6-8-4-2-1-3-5-10(8)12-7-9;/h1-5,7H,6H2,(H,13,14);1H
InChIKeyJSOILMJIWRVSNX-UHFFFAOYSA-N
XLogP2.27
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride (CID 158120626) is 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1=CN=C2C=CC=CC=C2C1.
What is the InChIKey of 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is JSOILMJIWRVSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.ClH/c13-11(14)9-6-8-4-2-1-3-5-10(8)12-7-9;/h1-5,7H,6H2,(H,13,14);1H.
What are the key properties of 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride?
4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 223.66 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclohepta[b]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 158120626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).