4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid

C8H11NO3 — CID 151626102

IUPAC4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid
SMILESCOC1=CCN(C(=O)O)C(C)=C1
InChIInChI=1S/C8H11NO3/c1-6-5-7(12-2)3-4-9(6)8(10)11/h3,5H,4H2,1-2H3,(H,10,11)
InChIKeyQPNMTUIHHGJUEE-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.41
Rot. Bonds1

About 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid

4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid (PubChem CID 151626102) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid
PubChem CID151626102
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid
SMILESCOC1=CCN(C(=O)O)C(C)=C1
InChIInChI=1S/C8H11NO3/c1-6-5-7(12-2)3-4-9(6)8(10)11/h3,5H,4H2,1-2H3,(H,10,11)
InChIKeyQPNMTUIHHGJUEE-UHFFFAOYSA-N
XLogP1.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid (CID 151626102) is 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid is COC1=CCN(C(=O)O)C(C)=C1.
What is the InChIKey of 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid?
The InChIKey is QPNMTUIHHGJUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-5-7(12-2)3-4-9(6)8(10)11/h3,5H,4H2,1-2H3,(H,10,11).
What are the key properties of 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid?
4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 151626102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).