3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H9ClN4O — CID 97058177

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H9ClN4O/c14-10-6-2-1-4-8(10)12-17-13(19-18-12)9-5-3-7-16-11(9)15/h1-7H,(H2,15,16)
InChIKeyBTQWSUYDUDNABK-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.03
Rot. Bonds2

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 97058177) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID97058177
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H9ClN4O/c14-10-6-2-1-4-8(10)12-17-13(19-18-12)9-5-3-7-16-11(9)15/h1-7H,(H2,15,16)
InChIKeyBTQWSUYDUDNABK-UHFFFAOYSA-N
XLogP3.03
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 97058177) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is BTQWSUYDUDNABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-6-2-1-4-8(10)12-17-13(19-18-12)9-5-3-7-16-11(9)15/h1-7H,(H2,15,16).
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 272.70 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 97058177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).