4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid

C9H8N4O2 — CID 90412496

IUPAC4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1-n1nccn1
InChIInChI=1S/C9H8N4O2/c1-6-2-3-10-7(9(14)15)8(6)13-11-4-5-12-13/h2-5H,1H3,(H,14,15)
InChIKeyABCRUKUNKQYILT-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.67
Rot. Bonds2

About 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid

4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid (PubChem CID 90412496) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid
PubChem CID90412496
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1-n1nccn1
InChIInChI=1S/C9H8N4O2/c1-6-2-3-10-7(9(14)15)8(6)13-11-4-5-12-13/h2-5H,1H3,(H,14,15)
InChIKeyABCRUKUNKQYILT-UHFFFAOYSA-N
XLogP0.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
2-[1-[2-[Hexyl(methyl)amino]ethyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 168148191
4-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid
CID 43142902
1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 20855127
3-(2,5-Dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(4-pyridinyl)-
CID 3053680
4-ethylpyridine-2-carboxylic Acid
CID 3596580
[1,2,3]Triazolo[1,5-a]pyridine-3-carboxylic acid
CID 13111409
5-(1H-1,2,3-triazol-1-yl)pyridine-3-carboxylic acid
CID 84662425
3-Amino-4-methylpyridine-2-carboxylic acid
CID 572618
4-(1-Pyridin-3-yltriazol-4-yl)benzoic acid
CID 155560403
1-(4-ethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 24277897

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid (CID 90412496) is 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid is Cc1ccnc(C(=O)O)c1-n1nccn1.
What is the InChIKey of 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The InChIKey is ABCRUKUNKQYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-2-3-10-7(9(14)15)8(6)13-11-4-5-12-13/h2-5H,1H3,(H,14,15).
What are the key properties of 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid?
4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90412496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).