3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline

C13H9BrN4O — CID 103589174

IUPAC3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline
SMILESNc1cc(Br)cc(Oc2ccc3nccnc3n2)c1
InChIInChI=1S/C13H9BrN4O/c14-8-5-9(15)7-10(6-8)19-12-2-1-11-13(18-12)17-4-3-16-11/h1-7H,15H2
InChIKeyWJLHOILFLDSNIL-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.16
Rot. Bonds2

About 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline

3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline (PubChem CID 103589174) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline.

Molecular Properties

Compound Name3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline
PubChem CID103589174
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline
SMILESNc1cc(Br)cc(Oc2ccc3nccnc3n2)c1
InChIInChI=1S/C13H9BrN4O/c14-8-5-9(15)7-10(6-8)19-12-2-1-11-13(18-12)17-4-3-16-11/h1-7H,15H2
InChIKeyWJLHOILFLDSNIL-UHFFFAOYSA-N
XLogP3.16
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(4-bromo-3-methylphenoxy)pyrido[2,3-b]pyrazine
CID 81333354
3-bromo-5-quinoxalin-2-yloxyaniline
CID 103589192
6-(4-iodophenoxy)pyrido[2,3-b]pyrazine
CID 78955285
3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 103589096
3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 103589164
3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline
CID 103589147
6-bromopyrido[2,3-b]pyrazine
CID 54759071
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
6-(2-iodo-5-methylphenoxy)pyrido[2,3-b]pyrazine
CID 133355817
3-bromo-5-quinazolin-4-yloxyaniline
CID 103589063
4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
CID 103589245
3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile
CID 103589175

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline?
The IUPAC name of 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline (CID 103589174) is 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline.
What is the SMILES notation for 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline?
The canonical SMILES for 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline is Nc1cc(Br)cc(Oc2ccc3nccnc3n2)c1.
What is the InChIKey of 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline?
The InChIKey is WJLHOILFLDSNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-8-5-9(15)7-10(6-8)19-12-2-1-11-13(18-12)17-4-3-16-11/h1-7H,15H2.
What are the key properties of 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline?
3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline has a molecular weight of 317.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline is sourced from PubChem (CID 103589174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).