8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C12H12ClN3O2 — CID 107003057

IUPAC8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCC1(C)CC1c1nnc2c(Cl)cc(C(=O)O)cn12
InChIInChI=1S/C12H12ClN3O2/c1-12(2)4-7(12)9-14-15-10-8(13)3-6(11(17)18)5-16(9)10/h3,5,7H,4H2,1-2H3,(H,17,18)
InChIKeyMMYPNVQXQVRADC-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.59
Rot. Bonds2

About 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 107003057) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID107003057
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCC1(C)CC1c1nnc2c(Cl)cc(C(=O)O)cn12
InChIInChI=1S/C12H12ClN3O2/c1-12(2)4-7(12)9-14-15-10-8(13)3-6(11(17)18)5-16(9)10/h3,5,7H,4H2,1-2H3,(H,17,18)
InChIKeyMMYPNVQXQVRADC-UHFFFAOYSA-N
XLogP2.59
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 107003057) is 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is CC1(C)CC1c1nnc2c(Cl)cc(C(=O)O)cn12.
What is the InChIKey of 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is MMYPNVQXQVRADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-12(2)4-7(12)9-14-15-10-8(13)3-6(11(17)18)5-16(9)10/h3,5,7H,4H2,1-2H3,(H,17,18).
What are the key properties of 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2,2-dimethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 107003057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).