methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate

C14H10N4O3 — CID 121304473

IUPACmethyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)n2nnc3ccccc32)n1
InChIInChI=1S/C14H10N4O3/c1-21-14(20)11-7-4-6-10(15-11)13(19)18-12-8-3-2-5-9(12)16-17-18/h2-8H,1H3
InChIKeyIYZFQXRWZSKMLS-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.30
Rot. Bonds2

About methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate

methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate (PubChem CID 121304473) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate
PubChem CID121304473
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Namemethyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)n2nnc3ccccc32)n1
InChIInChI=1S/C14H10N4O3/c1-21-14(20)11-7-4-6-10(15-11)13(19)18-12-8-3-2-5-9(12)16-17-18/h2-8H,1H3
InChIKeyIYZFQXRWZSKMLS-UHFFFAOYSA-N
XLogP1.30
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
CID 3356312
methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
CID 121219039
N-(4-methoxyphenyl)benzotriazole-1-carboxamide
CID 87105229
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 1202370
benzotriazol-1-yl-(2-ethoxyphenyl)methanone
CID 3418628
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
benzotriazol-1-yl-(5-methylfuran-2-yl)methanone
CID 5166982
benzotriazol-1-yl-(3,5-dichlorophenyl)methanone
CID 146164024
methyl 2-(benzotriazol-1-yl)-3-iodobenzoate
CID 122697713
methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685

Frequently Asked Questions

What is the IUPAC name of methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate (CID 121304473) is methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)n2nnc3ccccc32)n1.
What is the InChIKey of methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate?
The InChIKey is IYZFQXRWZSKMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c1-21-14(20)11-7-4-6-10(15-11)13(19)18-12-8-3-2-5-9(12)16-17-18/h2-8H,1H3.
What are the key properties of methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate?
methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 121304473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).