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

C10H16BrClN2O — CID 119031686

IUPAC(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
SMILESCC(C)[C@@H](CO)Nc1ccc(Br)cn1.Cl
InChIInChI=1S/C10H15BrN2O.ClH/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);1H/t9-;/m1./s1
InChIKeyFFUKAYRYYNABDZ-SBSPUUFOSA-N
MW295.61 g/mol
LogP2.69
Rot. Bonds4

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

(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride (PubChem CID 119031686) has the molecular formula C10H16BrClN2O and a molecular weight of 295.61 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
PubChem CID119031686
Molecular FormulaC10H16BrClN2O
Molecular Weight295.61 g/mol
Exact Mass294.01
IUPAC Name(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
SMILESCC(C)[C@@H](CO)Nc1ccc(Br)cn1.Cl
InChIInChI=1S/C10H15BrN2O.ClH/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);1H/t9-;/m1./s1
InChIKeyFFUKAYRYYNABDZ-SBSPUUFOSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.61
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride (CID 119031686) is (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride is CC(C)[C@@H](CO)Nc1ccc(Br)cn1.Cl.
What is the InChIKey of (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride?
The InChIKey is FFUKAYRYYNABDZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H15BrN2O.ClH/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);1H/t9-;/m1./s1.
What are the key properties of (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride?
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride has a molecular weight of 295.61 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 119031686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).