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

C11H17BrN2O — CID 106350440

IUPAC3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ncccc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(2)10(5-7-15)14-11-9(12)4-3-6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14)
InChIKeyRVXHOYVIKRFEQB-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.66
Rot. Bonds5

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

3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol (PubChem CID 106350440) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
PubChem CID106350440
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ncccc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(2)10(5-7-15)14-11-9(12)4-3-6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14)
InChIKeyRVXHOYVIKRFEQB-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

(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838
4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
CID 103696577
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358212
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol
CID 96514670
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol (CID 106350440) is 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1ncccc1Br.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol?
The InChIKey is RVXHOYVIKRFEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)10(5-7-15)14-11-9(12)4-3-6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol?
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-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 3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106350440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).