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

C10H15BrN2O — CID 79249750

IUPAC2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-7(2)9(6-14)13-10-4-3-8(11)5-12-10/h3-5,7,9,14H,6H2,1-2H3,(H,12,13)
InChIKeyRMGXSKJKKKIQHR-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.27
Rot. Bonds4

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

2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol (PubChem CID 79249750) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
PubChem CID79249750
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-7(2)9(6-14)13-10-4-3-8(11)5-12-10/h3-5,7,9,14H,6H2,1-2H3,(H,12,13)
InChIKeyRMGXSKJKKKIQHR-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
(2R,4S)-4-[(5-bromo-2-pyridinyl)amino]-2-methylhexan-1-ol
CID 97025562
2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 80653720
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol (CID 79249750) is 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol?
The InChIKey is RMGXSKJKKKIQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7(2)9(6-14)13-10-4-3-8(11)5-12-10/h3-5,7,9,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol?
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79249750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).