N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide

C12H8BrN5O — CID 75513025

IUPACN-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1ccc(Br)cn1
InChIInChI=1S/C12H8BrN5O/c13-7-1-3-10(14-6-7)12(19)15-8-2-4-9-11(5-8)17-18-16-9/h1-6H,(H,15,19)(H,16,17,18)
InChIKeyIMCORRPEMKARIH-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.37
Rot. Bonds2

About N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide

N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide (PubChem CID 75513025) has the molecular formula C12H8BrN5O and a molecular weight of 318.13 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
PubChem CID75513025
Molecular FormulaC12H8BrN5O
Molecular Weight318.13 g/mol
Exact Mass316.99
IUPAC NameN-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1ccc(Br)cn1
InChIInChI=1S/C12H8BrN5O/c13-7-1-3-10(14-6-7)12(19)15-8-2-4-9-11(5-8)17-18-16-9/h1-6H,(H,15,19)(H,16,17,18)
InChIKeyIMCORRPEMKARIH-UHFFFAOYSA-N
XLogP2.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 62954057
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide (CID 75513025) is N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide is O=C(Nc1ccc2n[nH]nc2c1)c1ccc(Br)cn1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide?
The InChIKey is IMCORRPEMKARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5O/c13-7-1-3-10(14-6-7)12(19)15-8-2-4-9-11(5-8)17-18-16-9/h1-6H,(H,15,19)(H,16,17,18).
What are the key properties of N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide?
N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide has a molecular weight of 318.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 75513025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).