6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide

C13H9BrN4O — CID 66464887

IUPAC6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(Br)nc1
InChIInChI=1S/C13H9BrN4O/c14-12-4-2-9(6-15-12)13(19)17-10-3-1-8-7-16-18-11(8)5-10/h1-7H,(H,16,18)(H,17,19)
InChIKeyAJQRGGABAXDLEB-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.97
Rot. Bonds2

About 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide

6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide (PubChem CID 66464887) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
PubChem CID66464887
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(Br)nc1
InChIInChI=1S/C13H9BrN4O/c14-12-4-2-9(6-15-12)13(19)17-10-3-1-8-7-16-18-11(8)5-10/h1-7H,(H,16,18)(H,17,19)
InChIKeyAJQRGGABAXDLEB-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
CID 36561549
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide (CID 66464887) is 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
The InChIKey is AJQRGGABAXDLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-12-4-2-9(6-15-12)13(19)17-10-3-1-8-7-16-18-11(8)5-10/h1-7H,(H,16,18)(H,17,19).
What are the key properties of 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66464887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).