2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine

C10H14BrClN2 — CID 130535397

IUPAC2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine
SMILESCC(C)(C)CNc1cc(Cl)cnc1Br
InChIInChI=1S/C10H14BrClN2/c1-10(2,3)6-14-8-4-7(12)5-13-9(8)11/h4-5,14H,6H2,1-3H3
InChIKeyOATNQJYPJVPASR-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.96
Rot. Bonds2

About 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine

2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine (PubChem CID 130535397) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine
PubChem CID130535397
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine
SMILESCC(C)(C)CNc1cc(Cl)cnc1Br
InChIInChI=1S/C10H14BrClN2/c1-10(2,3)6-14-8-4-7(12)5-13-9(8)11/h4-5,14H,6H2,1-3H3
InChIKeyOATNQJYPJVPASR-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.96
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 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine?
The IUPAC name of 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine (CID 130535397) is 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine.
What is the SMILES notation for 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine?
The canonical SMILES for 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine is CC(C)(C)CNc1cc(Cl)cnc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine?
The InChIKey is OATNQJYPJVPASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/c1-10(2,3)6-14-8-4-7(12)5-13-9(8)11/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine?
2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine has a molecular weight of 277.59 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine is sourced from PubChem (CID 130535397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).