3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid

C8H5ClN4O2 — CID 118510835

IUPAC3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-n1ncc(Cl)n1
InChIInChI=1S/C8H5ClN4O2/c9-6-4-11-13(12-6)5-2-1-3-10-7(5)8(14)15/h1-4H,(H,14,15)
InChIKeyQDUMFZBCXIUJNY-UHFFFAOYSA-N
MW224.61 g/mol
LogP1.01
Rot. Bonds2

About 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid

3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid (PubChem CID 118510835) has the molecular formula C8H5ClN4O2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid
PubChem CID118510835
Molecular FormulaC8H5ClN4O2
Molecular Weight224.61 g/mol
Exact Mass224.01
IUPAC Name3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-n1ncc(Cl)n1
InChIInChI=1S/C8H5ClN4O2/c9-6-4-11-13(12-6)5-2-1-3-10-7(5)8(14)15/h1-4H,(H,14,15)
InChIKeyQDUMFZBCXIUJNY-UHFFFAOYSA-N
XLogP1.01
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 66742288
3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
tetrakis(2-carboxypyridin-3-olate);iridium
CID 173055687
3-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 114541181
6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 171772651
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 103499765
pyridine-2,3-dicarboxylic acid
CID 1066
3-benzhydrylpyridine-2-carboxylic acid
CID 22748745
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxylic acid
CID 114490783
3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 154631764

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid (CID 118510835) is 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1-n1ncc(Cl)n1.
What is the InChIKey of 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid?
The InChIKey is QDUMFZBCXIUJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2/c9-6-4-11-13(12-6)5-2-1-3-10-7(5)8(14)15/h1-4H,(H,14,15).
What are the key properties of 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid?
3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid has a molecular weight of 224.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118510835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).