5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine

C14H15BrN2O — CID 103518744

IUPAC5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
SMILESCc1ccc(C)c(Oc2c(N)cncc2Br)c1C
InChIInChI=1S/C14H15BrN2O/c1-8-4-5-9(2)13(10(8)3)18-14-11(15)6-17-7-12(14)16/h4-7H,16H2,1-3H3
InChIKeyVUHVVAXGUKHZRD-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.14
Rot. Bonds2

About 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine

5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine (PubChem CID 103518744) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
PubChem CID103518744
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
SMILESCc1ccc(C)c(Oc2c(N)cncc2Br)c1C
InChIInChI=1S/C14H15BrN2O/c1-8-4-5-9(2)13(10(8)3)18-14-11(15)6-17-7-12(14)16/h4-7H,16H2,1-3H3
InChIKeyVUHVVAXGUKHZRD-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine (CID 103518744) is 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine is Cc1ccc(C)c(Oc2c(N)cncc2Br)c1C.
What is the InChIKey of 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
The InChIKey is VUHVVAXGUKHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-8-4-5-9(2)13(10(8)3)18-14-11(15)6-17-7-12(14)16/h4-7H,16H2,1-3H3.
What are the key properties of 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine has a molecular weight of 307.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine is sourced from PubChem (CID 103518744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).