2,4,6-trimethyl-2H-pyridine-1-carboxylic acid

C9H13NO2 — CID 175821443

IUPAC2,4,6-trimethyl-2H-pyridine-1-carboxylic acid
SMILESCC1=CC(C)N(C(=O)O)C(C)=C1
InChIInChI=1S/C9H13NO2/c1-6-4-7(2)10(9(11)12)8(3)5-6/h4-5,7H,1-3H3,(H,11,12)
InChIKeySQXSWWXMSDNXOC-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.22
Rot. Bonds

About 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid

2,4,6-trimethyl-2H-pyridine-1-carboxylic acid (PubChem CID 175821443) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2,4,6-trimethyl-2H-pyridine-1-carboxylic acid
PubChem CID175821443
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2,4,6-trimethyl-2H-pyridine-1-carboxylic acid
SMILESCC1=CC(C)N(C(=O)O)C(C)=C1
InChIInChI=1S/C9H13NO2/c1-6-4-7(2)10(9(11)12)8(3)5-6/h4-5,7H,1-3H3,(H,11,12)
InChIKeySQXSWWXMSDNXOC-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,6-tetramethyl-2H-pyridine;hydroiodide
CID 172692484
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CID 175022944
1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone
CID 141071074
(2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid
CID 13405193
4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide
CID 23586120
3,5,6-trimethylcyclohexa-2,4-dien-1-ol
CID 152794150
1-(aminomethyl)-4,6-dimethyl-2H-pyridin-2-ol
CID 174895371
1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one
CID 175114816
3,5-dimethyl-1-phenyl-3H-pyrazole-2-carbaldehyde
CID 151499107
3-methylcyclopropen-1-ol
CID 173486632
1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole
CID 175980839
2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid
CID 174295324

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid?
The IUPAC name of 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid (CID 175821443) is 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid is CC1=CC(C)N(C(=O)O)C(C)=C1.
What is the InChIKey of 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid?
The InChIKey is SQXSWWXMSDNXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-4-7(2)10(9(11)12)8(3)5-6/h4-5,7H,1-3H3,(H,11,12).
What are the key properties of 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid?
2,4,6-trimethyl-2H-pyridine-1-carboxylic acid has a molecular weight of 167.21 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175821443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).