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

C9H13BrN2O — CID 59250866

IUPAC(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
SMILESC[C@](N)(CCO)c1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-9(11,2-3-13)7-4-8(10)6-12-5-7/h4-6,13H,2-3,11H2,1H3/t9-/m0/s1
InChIKeyHEDCULDHQGVELN-VIFPVBQESA-N
MW245.12 g/mol
LogP1.40
Rot. Bonds3

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

(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol (PubChem CID 59250866) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
PubChem CID59250866
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
SMILESC[C@](N)(CCO)c1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-9(11,2-3-13)7-4-8(10)6-12-5-7/h4-6,13H,2-3,11H2,1H3/t9-/m0/s1
InChIKeyHEDCULDHQGVELN-VIFPVBQESA-N
XLogP1.40
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(2-fluoropropan-2-yl)pyridine
CID 131618037
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol
CID 55276734
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
2-amino-2-(5-fluoro-3-pyridinyl)propan-1-ol
CID 55292830
(3S)-3-amino-3-(3,5-dimethylphenyl)butan-1-ol
CID 131048662
1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol
CID 151263552
ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
CID 71742853
3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol
CID 130041409
4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
(3S)-3-amino-3-(3-bromo-4-chlorophenyl)butan-1-ol
CID 131215490
(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
CID 130706389
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol?
The IUPAC name of (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol (CID 59250866) is (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol is C[C@](N)(CCO)c1cncc(Br)c1.
What is the InChIKey of (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol?
The InChIKey is HEDCULDHQGVELN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-9(11,2-3-13)7-4-8(10)6-12-5-7/h4-6,13H,2-3,11H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol?
(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 59250866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).