3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine

C13H11BrN4 — CID 99802490

IUPAC3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine
SMILESBrc1cccnc1NCc1cccc2cn[nH]c12
InChIInChI=1S/C13H11BrN4/c14-11-5-2-6-15-13(11)16-7-9-3-1-4-10-8-17-18-12(9)10/h1-6,8H,7H2,(H,15,16)(H,17,18)
InChIKeySPARUTKKQXOMAU-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.33
Rot. Bonds3

About 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine

3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine (PubChem CID 99802490) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine
PubChem CID99802490
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine
SMILESBrc1cccnc1NCc1cccc2cn[nH]c12
InChIInChI=1S/C13H11BrN4/c14-11-5-2-6-15-13(11)16-7-9-3-1-4-10-8-17-18-12(9)10/h1-6,8H,7H2,(H,15,16)(H,17,18)
InChIKeySPARUTKKQXOMAU-UHFFFAOYSA-N
XLogP3.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine (CID 99802490) is 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine is Brc1cccnc1NCc1cccc2cn[nH]c12.
What is the InChIKey of 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine?
The InChIKey is SPARUTKKQXOMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-11-5-2-6-15-13(11)16-7-9-3-1-4-10-8-17-18-12(9)10/h1-6,8H,7H2,(H,15,16)(H,17,18).
What are the key properties of 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine?
3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine has a molecular weight of 303.16 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 99802490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).