5-methyl-2H-pyridine-1-carboxylic acid

C7H9NO2 — CID 67026381

IUPAC5-methyl-2H-pyridine-1-carboxylic acid
SMILESCC1=CN(C(=O)O)CC=C1
InChIInChI=1S/C7H9NO2/c1-6-3-2-4-8(5-6)7(9)10/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyRQTYRRAWKCPCRM-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.44
Rot. Bonds

About 5-methyl-2H-pyridine-1-carboxylic acid

5-methyl-2H-pyridine-1-carboxylic acid (PubChem CID 67026381) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-methyl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2H-pyridine-1-carboxylic acid
PubChem CID67026381
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-methyl-2H-pyridine-1-carboxylic acid
SMILESCC1=CN(C(=O)O)CC=C1
InChIInChI=1S/C7H9NO2/c1-6-3-2-4-8(5-6)7(9)10/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyRQTYRRAWKCPCRM-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-methyl-2H-pyridine-1-carboxylic acid (CID 67026381) is 5-methyl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-methyl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-methyl-2H-pyridine-1-carboxylic acid is CC1=CN(C(=O)O)CC=C1.
What is the InChIKey of 5-methyl-2H-pyridine-1-carboxylic acid?
The InChIKey is RQTYRRAWKCPCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-6-3-2-4-8(5-6)7(9)10/h2-3,5H,4H2,1H3,(H,9,10).
What are the key properties of 5-methyl-2H-pyridine-1-carboxylic acid?
5-methyl-2H-pyridine-1-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 67026381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).