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

C9H13BrN2O — CID 124523222

IUPAC(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
SMILESC[C@@H](CCO)Nc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-7(4-5-13)12-9-3-2-8(10)6-11-9/h2-3,6-7,13H,4-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyLQDUMIBCBURZOL-ZETCQYMHSA-N
MW245.12 g/mol
LogP2.03
Rot. Bonds4

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

(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol (PubChem CID 124523222) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
PubChem CID124523222
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
SMILESC[C@@H](CCO)Nc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-7(4-5-13)12-9-3-2-8(10)6-11-9/h2-3,6-7,13H,4-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyLQDUMIBCBURZOL-ZETCQYMHSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
CID 130668971
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol (CID 124523222) is (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol is C[C@@H](CCO)Nc1ccc(Br)cn1.
What is the InChIKey of (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The InChIKey is LQDUMIBCBURZOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(4-5-13)12-9-3-2-8(10)6-11-9/h2-3,6-7,13H,4-5H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 124523222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).