6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

C11H10ClF3N4O — CID 106421504

IUPAC6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(CCNc2cc(C(F)(F)F)cc(Cl)n2)no1
InChIInChI=1S/C11H10ClF3N4O/c1-6-17-9(19-20-6)2-3-16-10-5-7(11(13,14)15)4-8(12)18-10/h4-5H,2-3H2,1H3,(H,16,18)
InChIKeyWIJDDSLSRRLIMK-UHFFFAOYSA-N
MW306.68 g/mol
LogP3.10
Rot. Bonds4

About 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106421504) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106421504
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(CCNc2cc(C(F)(F)F)cc(Cl)n2)no1
InChIInChI=1S/C11H10ClF3N4O/c1-6-17-9(19-20-6)2-3-16-10-5-7(11(13,14)15)4-8(12)18-10/h4-5H,2-3H2,1H3,(H,16,18)
InChIKeyWIJDDSLSRRLIMK-UHFFFAOYSA-N
XLogP3.10
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 53.10
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

2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716067
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106411584
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 103009998
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethylpyrrole-2,5-diol
CID 91079762
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 106196196
6-chloro-N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715638
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
6-chloro-N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114128759

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 106421504) is 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1nc(CCNc2cc(C(F)(F)F)cc(Cl)n2)no1.
What is the InChIKey of 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WIJDDSLSRRLIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-6-17-9(19-20-6)2-3-16-10-5-7(11(13,14)15)4-8(12)18-10/h4-5H,2-3H2,1H3,(H,16,18).
What are the key properties of 6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.68 g/mol, XLogP of 3.10, 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-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106421504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).