6-(5-bromo-2-methylphenoxy)pyridin-3-amine

C12H11BrN2O — CID 107283348

IUPAC6-(5-bromo-2-methylphenoxy)pyridin-3-amine
SMILESCc1ccc(Br)cc1Oc1ccc(N)cn1
InChIInChI=1S/C12H11BrN2O/c1-8-2-3-9(13)6-11(8)16-12-5-4-10(14)7-15-12/h2-7H,14H2,1H3
InChIKeyVHKLMNLLMYZQLA-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.53
Rot. Bonds2

About 6-(5-bromo-2-methylphenoxy)pyridin-3-amine

6-(5-bromo-2-methylphenoxy)pyridin-3-amine (PubChem CID 107283348) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenoxy)pyridin-3-amine
PubChem CID107283348
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name6-(5-bromo-2-methylphenoxy)pyridin-3-amine
SMILESCc1ccc(Br)cc1Oc1ccc(N)cn1
InChIInChI=1S/C12H11BrN2O/c1-8-2-3-9(13)6-11(8)16-12-5-4-10(14)7-15-12/h2-7H,14H2,1H3
InChIKeyVHKLMNLLMYZQLA-UHFFFAOYSA-N
XLogP3.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
2-(5-bromo-2-methylphenoxy)-1,3-thiazol-5-amine
CID 107283345
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261
[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107285585

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenoxy)pyridin-3-amine?
The IUPAC name of 6-(5-bromo-2-methylphenoxy)pyridin-3-amine (CID 107283348) is 6-(5-bromo-2-methylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(5-bromo-2-methylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(5-bromo-2-methylphenoxy)pyridin-3-amine is Cc1ccc(Br)cc1Oc1ccc(N)cn1.
What is the InChIKey of 6-(5-bromo-2-methylphenoxy)pyridin-3-amine?
The InChIKey is VHKLMNLLMYZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-2-3-9(13)6-11(8)16-12-5-4-10(14)7-15-12/h2-7H,14H2,1H3.
What are the key properties of 6-(5-bromo-2-methylphenoxy)pyridin-3-amine?
6-(5-bromo-2-methylphenoxy)pyridin-3-amine has a molecular weight of 279.14 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenoxy)pyridin-3-amine is sourced from PubChem (CID 107283348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).