N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide

C8H6BrN5O — CID 71980088

IUPACN-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ncccc1Br)c1cn[nH]n1
InChIInChI=1S/C8H6BrN5O/c9-5-2-1-3-10-7(5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14)
InChIKeyBJDLFMTZGZEKMP-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.21
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide

N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide (PubChem CID 71980088) has the molecular formula C8H6BrN5O and a molecular weight of 268.07 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide
PubChem CID71980088
Molecular FormulaC8H6BrN5O
Molecular Weight268.07 g/mol
Exact Mass266.98
IUPAC NameN-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ncccc1Br)c1cn[nH]n1
InChIInChI=1S/C8H6BrN5O/c9-5-2-1-3-10-7(5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14)
InChIKeyBJDLFMTZGZEKMP-UHFFFAOYSA-N
XLogP1.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 2826197
3-amino-6-bromo-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11415160
3-(4-Bromophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162120
4-bromo-N-(5-bromopyridin-2-yl)-2-methylpyrazole-3-carboxamide
CID 1222154
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-pyridinyl)acetamide
CID 8120211
N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide
CID 16663197
N-(2-pyridyl)pyrazine-2-carboxamide
CID 470919
2-(5-bromo-4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 59603580
N-(5-bromopyridin-2-yl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4649294
6-Bromo-3-(dimethylamino)-N-2-pyridinyl-2-pyrazinecarboxamide
CID 44389242
N-(5-bromopyridin-2-yl)-1-methylpyrazole-3-carboxamide
CID 3514158
N-(5-bromopyridin-2-yl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 19577927

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide (CID 71980088) is N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide is O=C(Nc1ncccc1Br)c1cn[nH]n1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide?
The InChIKey is BJDLFMTZGZEKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5O/c9-5-2-1-3-10-7(5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14).
What are the key properties of N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide?
N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide has a molecular weight of 268.07 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 71980088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).