5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine

C15H17BrN2 — CID 113423544

IUPAC5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
SMILESCC(C)(C)c1ccc(Nc2cncc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2/c1-15(2,3)11-4-6-13(7-5-11)18-14-8-12(16)9-17-10-14/h4-10,18H,1-3H3
InChIKeyUYSJHAMIJBNGEV-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.89
Rot. Bonds2

About 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine

5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine (PubChem CID 113423544) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
PubChem CID113423544
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
SMILESCC(C)(C)c1ccc(Nc2cncc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2/c1-15(2,3)11-4-6-13(7-5-11)18-14-8-12(16)9-17-10-14/h4-10,18H,1-3H3
InChIKeyUYSJHAMIJBNGEV-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine
CID 104531457
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
5-bromo-N-(3-bromo-4-fluorophenyl)pyridin-3-amine
CID 104780278
6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
CID 114223074
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine
CID 113423559
4-[(5-bromo-3-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 114002030
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 23537132
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine (CID 113423544) is 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine is CC(C)(C)c1ccc(Nc2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine?
The InChIKey is UYSJHAMIJBNGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-15(2,3)11-4-6-13(7-5-11)18-14-8-12(16)9-17-10-14/h4-10,18H,1-3H3.
What are the key properties of 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine?
5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine has a molecular weight of 305.22 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine is sourced from PubChem (CID 113423544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).