2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid

C10H8Cl2N4O2 — CID 97057699

IUPAC2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid
SMILESCc1nc(-n2nc(C)c(C(=O)O)n2)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-4-6(11)3-7(12)9(13-4)16-14-5(2)8(15-16)10(17)18/h3H,1-2H3,(H,17,18)
InChIKeyUUXNSDJTWVOFTJ-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.28
Rot. Bonds2

About 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid

2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid (PubChem CID 97057699) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid
PubChem CID97057699
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid
SMILESCc1nc(-n2nc(C)c(C(=O)O)n2)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-4-6(11)3-7(12)9(13-4)16-14-5(2)8(15-16)10(17)18/h3H,1-2H3,(H,17,18)
InChIKeyUUXNSDJTWVOFTJ-UHFFFAOYSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid?
The IUPAC name of 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid (CID 97057699) is 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid is Cc1nc(-n2nc(C)c(C(=O)O)n2)c(Cl)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid?
The InChIKey is UUXNSDJTWVOFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c1-4-6(11)3-7(12)9(13-4)16-14-5(2)8(15-16)10(17)18/h3H,1-2H3,(H,17,18).
What are the key properties of 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid?
2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid has a molecular weight of 287.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 97057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).