3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine

C9H10BrN5O — CID 106394058

IUPAC3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESNc1cnc(NCCc2ncon2)c(Br)c1
InChIInChI=1S/C9H10BrN5O/c10-7-3-6(11)4-13-9(7)12-2-1-8-14-5-16-15-8/h3-5H,1-2,11H2,(H,12,13)
InChIKeyQUEZNCWCVUYPEO-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.46
Rot. Bonds4

About 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine

3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine (PubChem CID 106394058) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
PubChem CID106394058
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESNc1cnc(NCCc2ncon2)c(Br)c1
InChIInChI=1S/C9H10BrN5O/c10-7-3-6(11)4-13-9(7)12-2-1-8-14-5-16-15-8/h3-5H,1-2,11H2,(H,12,13)
InChIKeyQUEZNCWCVUYPEO-UHFFFAOYSA-N
XLogP1.46
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 106407447
5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106404166
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412553
5-bromo-2-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114185566
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 79021090
2-chloro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,4-diamine
CID 106394049
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 114143843
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183499
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine (CID 106394058) is 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine is Nc1cnc(NCCc2ncon2)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is QUEZNCWCVUYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c10-7-3-6(11)4-13-9(7)12-2-1-8-14-5-16-15-8/h3-5H,1-2,11H2,(H,12,13).
What are the key properties of 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine?
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 284.12 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 106394058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).