6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine

C14H15BrN2 — CID 63962569

IUPAC6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccc(Nc2cccc(Br)n2)cc1
InChIInChI=1S/C14H15BrN2/c1-10(2)11-6-8-12(9-7-11)16-14-5-3-4-13(15)17-14/h3-10H,1-2H3,(H,16,17)
InChIKeyLXRDNJRPWPSHGQ-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.71
Rot. Bonds3

About 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine

6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine (PubChem CID 63962569) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
PubChem CID63962569
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccc(Nc2cccc(Br)n2)cc1
InChIInChI=1S/C14H15BrN2/c1-10(2)11-6-8-12(9-7-11)16-14-5-3-4-13(15)17-14/h3-10H,1-2H3,(H,16,17)
InChIKeyLXRDNJRPWPSHGQ-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine (CID 63962569) is 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine is CC(C)c1ccc(Nc2cccc(Br)n2)cc1.
What is the InChIKey of 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The InChIKey is LXRDNJRPWPSHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10(2)11-6-8-12(9-7-11)16-14-5-3-4-13(15)17-14/h3-10H,1-2H3,(H,16,17).
What are the key properties of 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine?
6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine has a molecular weight of 291.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 63962569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).