1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol

C11H17BrN2O — CID 103702829

IUPAC1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-8(2)3-11(15)7-14-10-4-9(12)5-13-6-10/h4-6,8,11,14-15H,3,7H2,1-2H3
InChIKeyGWKFICNACJXXPA-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.66
Rot. Bonds5

About 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol

1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol (PubChem CID 103702829) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
PubChem CID103702829
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-8(2)3-11(15)7-14-10-4-9(12)5-13-6-10/h4-6,8,11,14-15H,3,7H2,1-2H3
InChIKeyGWKFICNACJXXPA-UHFFFAOYSA-N
XLogP2.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 113250573
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
CID 107153295
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
CID 113234114
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
CID 124680389
5-bromo-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
CID 104577285
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
(2S)-2-[(5-bromo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 114222532
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol (CID 103702829) is 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol?
The InChIKey is GWKFICNACJXXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)3-11(15)7-14-10-4-9(12)5-13-6-10/h4-6,8,11,14-15H,3,7H2,1-2H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol?
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 103702829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).