3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid

C10H9ClN4O2 — CID 61347865

IUPAC3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nc(C)n(-c2ccc(Cl)c(C(=O)O)n2)n1
InChIInChI=1S/C10H9ClN4O2/c1-5-12-6(2)15(14-5)8-4-3-7(11)9(13-8)10(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyWCAGXYDSGNTOLS-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.63
Rot. Bonds2

About 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid

3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 61347865) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
PubChem CID61347865
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nc(C)n(-c2ccc(Cl)c(C(=O)O)n2)n1
InChIInChI=1S/C10H9ClN4O2/c1-5-12-6(2)15(14-5)8-4-3-7(11)9(13-8)10(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyWCAGXYDSGNTOLS-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid (CID 61347865) is 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid is Cc1nc(C)n(-c2ccc(Cl)c(C(=O)O)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is WCAGXYDSGNTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-5-12-6(2)15(14-5)8-4-3-7(11)9(13-8)10(16)17/h3-4H,1-2H3,(H,16,17).
What are the key properties of 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid?
3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 61347865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).