5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride

C8H7ClN4O2 — CID 91662796

IUPAC5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-n2cncn2)cn1
InChIInChI=1S/C8H6N4O2.ClH/c13-8(14)7-2-1-6(3-10-7)12-5-9-4-11-12;/h1-5H,(H,13,14);1H
InChIKeyFSWANZNAOCHGBG-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.78
Rot. Bonds2

About 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride

5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride (PubChem CID 91662796) has the molecular formula C8H7ClN4O2 and a molecular weight of 226.62 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride
PubChem CID91662796
Molecular FormulaC8H7ClN4O2
Molecular Weight226.62 g/mol
Exact Mass226.03
IUPAC Name5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-n2cncn2)cn1
InChIInChI=1S/C8H6N4O2.ClH/c13-8(14)7-2-1-6(3-10-7)12-5-9-4-11-12;/h1-5H,(H,13,14);1H
InChIKeyFSWANZNAOCHGBG-UHFFFAOYSA-N
XLogP0.78
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-imidazol-1-yl)pyridazine-3-carboxylic acid
CID 6416392
4-(1H-imidazol-1-yl)pyridine-2-carboxylic acid
CID 26967237
Pyrido[2,3-b]pyrazine-6-carboxylic acid
CID 4739091
Imidazo(1,2-a)pyridine-5-carboxylic acid
CID 18983819
6-(1H-imidazol-1-yl)pyridine-2-carboxylic acid
CID 28875514
6-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid
CID 54594501
Imidazo(1,2-a)pyridine-5-carboxylic acid hydrochloride
CID 56737688
5-(1H-Imidazol-1-yl)-2-pyridinecarboxylic acid
CID 58252531
6-(1H-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
CID 62253542
4-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxylic acid
CID 63650175
5-(1H-1,2,3,4-tetrazol-1-yl)pyridine-2-carboxylic acid
CID 81690411
Pyrazolo[1,5-c]pyrimidine-5-carboxylic acid
CID 165740428

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride (CID 91662796) is 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc(-n2cncn2)cn1.
What is the InChIKey of 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is FSWANZNAOCHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2.ClH/c13-8(14)7-2-1-6(3-10-7)12-5-9-4-11-12;/h1-5H,(H,13,14);1H.
What are the key properties of 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride?
5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 226.62 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 91662796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).