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

C9H13BrN2O — CID 131182775

IUPAC(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
SMILESC[C@H](CCO)Nc1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(4-6-13)12-9-8(10)3-2-5-11-9/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyLLDJYVPXAIQANI-SSDOTTSWSA-N
MW245.12 g/mol
LogP2.03
Rot. Bonds4

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

(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol (PubChem CID 131182775) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
PubChem CID131182775
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
SMILESC[C@H](CCO)Nc1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(4-6-13)12-9-8(10)3-2-5-11-9/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyLLDJYVPXAIQANI-SSDOTTSWSA-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

3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
3-[(2-amino-3-pyridinyl)amino]butan-1-ol
CID 104540669
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416
3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol
CID 104732049
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294
(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
CID 130668971
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 103703297

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol (CID 131182775) is (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol is C[C@H](CCO)Nc1ncccc1Br.
What is the InChIKey of (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol?
The InChIKey is LLDJYVPXAIQANI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(4-6-13)12-9-8(10)3-2-5-11-9/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol?
(3R)-3-[(3-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 (3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 131182775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).