(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine

C13H11BrN4 — CID 55059121

IUPAC(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine
SMILESNCc1cc(Br)cnc1-n1ncc2ccccc21
InChIInChI=1S/C13H11BrN4/c14-11-5-10(6-15)13(16-8-11)18-12-4-2-1-3-9(12)7-17-18/h1-5,7-8H,6,15H2
InChIKeyRLTBQNMQPOKJIT-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.64
Rot. Bonds2

About (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine

(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine (PubChem CID 55059121) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine
PubChem CID55059121
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine
SMILESNCc1cc(Br)cnc1-n1ncc2ccccc21
InChIInChI=1S/C13H11BrN4/c14-11-5-10(6-15)13(16-8-11)18-12-4-2-1-3-9(12)7-17-18/h1-5,7-8H,6,15H2
InChIKeyRLTBQNMQPOKJIT-UHFFFAOYSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine?
The IUPAC name of (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine (CID 55059121) is (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine is NCc1cc(Br)cnc1-n1ncc2ccccc21.
What is the InChIKey of (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine?
The InChIKey is RLTBQNMQPOKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-11-5-10(6-15)13(16-8-11)18-12-4-2-1-3-9(12)7-17-18/h1-5,7-8H,6,15H2.
What are the key properties of (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine?
(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine has a molecular weight of 303.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 55059121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).