2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide

C12H9Br2N3O — CID 107603227

IUPAC2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2c(Br)cccc2Br)ccn1
InChIInChI=1S/C12H9Br2N3O/c13-8-2-1-3-9(14)11(8)17-12(18)7-4-5-16-10(15)6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyYAUVQBFPHAZCRX-UHFFFAOYSA-N
MW371.03 g/mol
LogP3.44
Rot. Bonds2

About 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide

2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide (PubChem CID 107603227) has the molecular formula C12H9Br2N3O and a molecular weight of 371.03 g/mol. Its IUPAC name is 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide
PubChem CID107603227
Molecular FormulaC12H9Br2N3O
Molecular Weight371.03 g/mol
Exact Mass368.91
IUPAC Name2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2c(Br)cccc2Br)ccn1
InChIInChI=1S/C12H9Br2N3O/c13-8-2-1-3-9(14)11(8)17-12(18)7-4-5-16-10(15)6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyYAUVQBFPHAZCRX-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide (CID 107603227) is 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide is Nc1cc(C(=O)Nc2c(Br)cccc2Br)ccn1.
What is the InChIKey of 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide?
The InChIKey is YAUVQBFPHAZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O/c13-8-2-1-3-9(14)11(8)17-12(18)7-4-5-16-10(15)6-7/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide?
2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide has a molecular weight of 371.03 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 107603227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).