6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide

C14H11BrN4O — CID 118663961

IUPAC6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide
SMILESCc1cccc(-n2ncc3c(C(N)=O)cc(Br)cc32)n1
InChIInChI=1S/C14H11BrN4O/c1-8-3-2-4-13(18-8)19-12-6-9(15)5-10(14(16)20)11(12)7-17-19/h2-7H,1H3,(H2,16,20)
InChIKeyNBWWKNQXNNRYOK-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.59
Rot. Bonds2

About 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide

6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide (PubChem CID 118663961) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide
PubChem CID118663961
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide
SMILESCc1cccc(-n2ncc3c(C(N)=O)cc(Br)cc32)n1
InChIInChI=1S/C14H11BrN4O/c1-8-3-2-4-13(18-8)19-12-6-9(15)5-10(14(16)20)11(12)7-17-19/h2-7H,1H3,(H2,16,20)
InChIKeyNBWWKNQXNNRYOK-UHFFFAOYSA-N
XLogP2.59
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide (CID 118663961) is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide.
What is the SMILES notation for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The canonical SMILES for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide is Cc1cccc(-n2ncc3c(C(N)=O)cc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The InChIKey is NBWWKNQXNNRYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-8-3-2-4-13(18-8)19-12-6-9(15)5-10(14(16)20)11(12)7-17-19/h2-7H,1H3,(H2,16,20).
What are the key properties of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide is sourced from PubChem (CID 118663961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).