3-methoxypyridine-2-carboxylic acid;hydrochloride

C7H8ClNO3 — CID 67715990

IUPAC3-methoxypyridine-2-carboxylic acid;hydrochloride
SMILESCOc1cccnc1C(=O)O.Cl
InChIInChI=1S/C7H7NO3.ClH/c1-11-5-3-2-4-8-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKeyMQFRBEILHZPVQG-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.21
Rot. Bonds2

About 3-methoxypyridine-2-carboxylic acid;hydrochloride

3-methoxypyridine-2-carboxylic acid;hydrochloride (PubChem CID 67715990) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 3-methoxypyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methoxypyridine-2-carboxylic acid;hydrochloride
PubChem CID67715990
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name3-methoxypyridine-2-carboxylic acid;hydrochloride
SMILESCOc1cccnc1C(=O)O.Cl
InChIInChI=1S/C7H7NO3.ClH/c1-11-5-3-2-4-8-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKeyMQFRBEILHZPVQG-UHFFFAOYSA-N
XLogP1.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-methoxypyridine-2-carboxylic acid;hydrochloride (CID 67715990) is 3-methoxypyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methoxypyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methoxypyridine-2-carboxylic acid;hydrochloride is COc1cccnc1C(=O)O.Cl.
What is the InChIKey of 3-methoxypyridine-2-carboxylic acid;hydrochloride?
The InChIKey is MQFRBEILHZPVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.ClH/c1-11-5-3-2-4-8-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H.
What are the key properties of 3-methoxypyridine-2-carboxylic acid;hydrochloride?
3-methoxypyridine-2-carboxylic acid;hydrochloride has a molecular weight of 189.60 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67715990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).