3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

C11H16BrClN2O — CID 106185235

IUPAC3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2O/c1-10(2,11(3,4)16)15-9-8(12)5-7(13)6-14-9/h5-6,16H,1-4H3,(H,14,15)
InChIKeyHIRFPSNPKIJJFX-UHFFFAOYSA-N
MW307.62 g/mol
LogP3.46
Rot. Bonds3

About 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106185235) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106185235
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2O/c1-10(2,11(3,4)16)15-9-8(12)5-7(13)6-14-9/h5-6,16H,1-4H3,(H,14,15)
InChIKeyHIRFPSNPKIJJFX-UHFFFAOYSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (CID 106185235) is 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is HIRFPSNPKIJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-10(2,11(3,4)16)15-9-8(12)5-7(13)6-14-9/h5-6,16H,1-4H3,(H,14,15).
What are the key properties of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 307.62 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).