1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride

C7H10ClNO2 — CID 67464398

IUPAC1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride
SMILESCN1C=CC=C(C(=O)O)C1.Cl
InChIInChI=1S/C7H9NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-4H,5H2,1H3,(H,9,10);1H
InChIKeyYBIFOXUPHYDNQP-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.88
Rot. Bonds1

About 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride

1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 67464398) has the molecular formula C7H10ClNO2 and a molecular weight of 175.62 g/mol. Its IUPAC name is 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID67464398
Molecular FormulaC7H10ClNO2
Molecular Weight175.62 g/mol
Exact Mass175.04
IUPAC Name1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride
SMILESCN1C=CC=C(C(=O)O)C1.Cl
InChIInChI=1S/C7H9NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-4H,5H2,1H3,(H,9,10);1H
InChIKeyYBIFOXUPHYDNQP-UHFFFAOYSA-N
XLogP0.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride (CID 67464398) is 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride is CN1C=CC=C(C(=O)O)C1.Cl.
What is the InChIKey of 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is YBIFOXUPHYDNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-4H,5H2,1H3,(H,9,10);1H.
What are the key properties of 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride?
1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67464398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).