6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine

C9H9ClN4O — CID 106405558

IUPAC6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESClc1cccc(NCCc2ncno2)n1
InChIInChI=1S/C9H9ClN4O/c10-7-2-1-3-8(14-7)11-5-4-9-12-6-13-15-9/h1-3,6H,4-5H2,(H,11,14)
InChIKeyBOJVZPAWZOQAHA-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.77
Rot. Bonds4

About 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine

6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106405558) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106405558
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESClc1cccc(NCCc2ncno2)n1
InChIInChI=1S/C9H9ClN4O/c10-7-2-1-3-8(14-7)11-5-4-9-12-6-13-15-9/h1-3,6H,4-5H2,(H,11,14)
InChIKeyBOJVZPAWZOQAHA-UHFFFAOYSA-N
XLogP1.77
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
CID 103744283
6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103744300
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
6-methoxy-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 114183079
6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106405623
3-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridazine-3,6-diamine
CID 106411541
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
CID 55214934
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 106393639
6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 113253256
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 106393782
6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine
CID 101398050

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (CID 106405558) is 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is Clc1cccc(NCCc2ncno2)n1.
What is the InChIKey of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is BOJVZPAWZOQAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c10-7-2-1-3-8(14-7)11-5-4-9-12-6-13-15-9/h1-3,6H,4-5H2,(H,11,14).
What are the key properties of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 224.65 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106405558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).