6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine

C13H13BrN2O — CID 63961957

IUPAC6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
SMILESCCOc1cccc(Nc2cccc(Br)n2)c1
InChIInChI=1S/C13H13BrN2O/c1-2-17-11-6-3-5-10(9-11)15-13-8-4-7-12(14)16-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyNZMZXHGYISQUCT-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.99
Rot. Bonds4

About 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine

6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine (PubChem CID 63961957) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
PubChem CID63961957
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
SMILESCCOc1cccc(Nc2cccc(Br)n2)c1
InChIInChI=1S/C13H13BrN2O/c1-2-17-11-6-3-5-10(9-11)15-13-8-4-7-12(14)16-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyNZMZXHGYISQUCT-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
CID 112582167
N-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964
2-bromo-6-(3-ethoxyphenoxy)pyridine
CID 817495
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80905693
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 63961087
6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
CID 63960879
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine (CID 63961957) is 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine is CCOc1cccc(Nc2cccc(Br)n2)c1.
What is the InChIKey of 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine?
The InChIKey is NZMZXHGYISQUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-2-17-11-6-3-5-10(9-11)15-13-8-4-7-12(14)16-13/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine?
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine has a molecular weight of 293.16 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 63961957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).