3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

C11H14Br2N2O — CID 114630231

IUPAC3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ncc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O/c1-11(2)8(4-9(11)16)15-10-7(13)3-6(12)5-14-10/h3,5,8-9,16H,4H2,1-2H3,(H,14,15)
InChIKeyRCMBOOCYHSIXRH-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.18
Rot. Bonds2

About 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114630231) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114630231
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ncc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O/c1-11(2)8(4-9(11)16)15-10-7(13)3-6(12)5-14-10/h3,5,8-9,16H,4H2,1-2H3,(H,14,15)
InChIKeyRCMBOOCYHSIXRH-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630263
2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 103952292
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630234
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine
CID 106797289
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632994
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632842
5-bromo-3-chloro-N-(2,2-dimethylcyclopropyl)pyridin-2-amine
CID 103582483
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
3-(2-bromo-5-chloro-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 104722941
3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130921142

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114630231) is 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1ncc(Br)cc1Br.
What is the InChIKey of 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is RCMBOOCYHSIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-11(2)8(4-9(11)16)15-10-7(13)3-6(12)5-14-10/h3,5,8-9,16H,4H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 350.05 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114630231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).