3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C9H7Cl3N4O — CID 178051855

IUPAC3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(-c2noc(C(Cl)(Cl)Cl)n2)nc1N
InChIInChI=1S/C9H7Cl3N4O/c1-4-2-3-5(14-6(4)13)7-15-8(17-16-7)9(10,11)12/h2-3H,1H3,(H2,13,14)
InChIKeyACICMYQAHWBPJO-UHFFFAOYSA-N
MW293.54 g/mol
LogP2.85
Rot. Bonds1

About 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 178051855) has the molecular formula C9H7Cl3N4O and a molecular weight of 293.54 g/mol. Its IUPAC name is 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID178051855
Molecular FormulaC9H7Cl3N4O
Molecular Weight293.54 g/mol
Exact Mass291.97
IUPAC Name3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(-c2noc(C(Cl)(Cl)Cl)n2)nc1N
InChIInChI=1S/C9H7Cl3N4O/c1-4-2-3-5(14-6(4)13)7-15-8(17-16-7)9(10,11)12/h2-3H,1H3,(H2,13,14)
InChIKeyACICMYQAHWBPJO-UHFFFAOYSA-N
XLogP2.85
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 155230305
2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65261140
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430644
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736
1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797987
3-(1-methylindol-3-yl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 18987424
5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 165392196
2-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 79799134
3-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]benzonitrile
CID 156506824
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
2-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 178051855) is 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Cc1ccc(-c2noc(C(Cl)(Cl)Cl)n2)nc1N.
What is the InChIKey of 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is ACICMYQAHWBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N4O/c1-4-2-3-5(14-6(4)13)7-15-8(17-16-7)9(10,11)12/h2-3H,1H3,(H2,13,14).
What are the key properties of 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 293.54 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 178051855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).