2-[(3-bromo-2-pyridinyl)amino]ethanol

C7H9BrN2O — CID 61374645

IUPAC2-[(3-bromo-2-pyridinyl)amino]ethanol
SMILESOCCNc1ncccc1Br
InChIInChI=1S/C7H9BrN2O/c8-6-2-1-3-9-7(6)10-4-5-11/h1-3,11H,4-5H2,(H,9,10)
InChIKeyCXJLBUBYEVDLGQ-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.25
Rot. Bonds3

About 2-[(3-bromo-2-pyridinyl)amino]ethanol

2-[(3-bromo-2-pyridinyl)amino]ethanol (PubChem CID 61374645) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)amino]ethanol
PubChem CID61374645
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name2-[(3-bromo-2-pyridinyl)amino]ethanol
SMILESOCCNc1ncccc1Br
InChIInChI=1S/C7H9BrN2O/c8-6-2-1-3-9-7(6)10-4-5-11/h1-3,11H,4-5H2,(H,9,10)
InChIKeyCXJLBUBYEVDLGQ-UHFFFAOYSA-N
XLogP1.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144661
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid
CID 164518005
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 62664309
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
3-bromo-N-(2-phenylsulfanylethyl)pyridin-2-amine
CID 61375421
N-benzyl-3-bromopyridin-2-amine
CID 11708714
N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62642737

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]ethanol (CID 61374645) is 2-[(3-bromo-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)amino]ethanol is OCCNc1ncccc1Br.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)amino]ethanol?
The InChIKey is CXJLBUBYEVDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-6-2-1-3-9-7(6)10-4-5-11/h1-3,11H,4-5H2,(H,9,10).
What are the key properties of 2-[(3-bromo-2-pyridinyl)amino]ethanol?
2-[(3-bromo-2-pyridinyl)amino]ethanol has a molecular weight of 217.07 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 61374645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).