5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid

C12H9N5O2 — CID 114090505

IUPAC5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid
SMILESNc1cnc(-n2nnc3ccccc32)cc1C(=O)O
InChIInChI=1S/C12H9N5O2/c13-8-6-14-11(5-7(8)12(18)19)17-10-4-2-1-3-9(10)15-16-17/h1-6H,13H2,(H,18,19)
InChIKeyGFFQQUFUISNIQB-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.10
Rot. Bonds2

About 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid

5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 114090505) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid
PubChem CID114090505
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid
SMILESNc1cnc(-n2nnc3ccccc32)cc1C(=O)O
InChIInChI=1S/C12H9N5O2/c13-8-6-14-11(5-7(8)12(18)19)17-10-4-2-1-3-9(10)15-16-17/h1-6H,13H2,(H,18,19)
InChIKeyGFFQQUFUISNIQB-UHFFFAOYSA-N
XLogP1.10
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)benzene-1,3-dicarboxylic acid
CID 67391160
6-(benzotriazol-1-yl)pyridin-3-amine
CID 29082003
3-(benzotriazol-1-yl)pyridine-4-carboxylic acid
CID 113269774
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
1-(5-chloro-2-pyridinyl)benzotriazole
CID 12588335
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 1014695
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
1-[5-(chloromethyl)-2-pyridinyl]benzotriazole
CID 61257847
3-amino-4-(benzotriazol-1-yl)-N-methylbenzamide
CID 78985131
1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid (CID 114090505) is 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid is Nc1cnc(-n2nnc3ccccc32)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is GFFQQUFUISNIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c13-8-6-14-11(5-7(8)12(18)19)17-10-4-2-1-3-9(10)15-16-17/h1-6H,13H2,(H,18,19).
What are the key properties of 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid?
5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114090505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).