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

C9H13BrN2O — CID 93083491

IUPAC(2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-2-8(6-13)12-9-4-3-7(10)5-11-9/h3-5,8,13H,2,6H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyFCWKXTMGIGNUTC-MRVPVSSYSA-N
MW245.12 g/mol
LogP2.03
Rot. Bonds4

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

(2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol (PubChem CID 93083491) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
PubChem CID93083491
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-2-8(6-13)12-9-4-3-7(10)5-11-9/h3-5,8,13H,2,6H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyFCWKXTMGIGNUTC-MRVPVSSYSA-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

1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
2-Acetamido-5-bromopyridine
CID 293097
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
N-(5-bromopyridin-2-yl)propanamide
CID 774878
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516
3-bromo-N-phenylpyridin-2-amine
CID 10610607
4-(5-Bromopyridin-2-yl)morpholine
CID 10966724
2-(N-Methyl-N-(2-pyridyl)amino)ethanol
CID 737420
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol (CID 93083491) is (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol is CC[C@H](CO)Nc1ccc(Br)cn1.
What is the InChIKey of (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The InChIKey is FCWKXTMGIGNUTC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-8(6-13)12-9-4-3-7(10)5-11-9/h3-5,8,13H,2,6H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
(2R)-2-[(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 (2R)-2-[(5-bromo-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 93083491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).