3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C9H6ClF3N4O — CID 113238278

IUPAC3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ncon2)c(Cl)c1
InChIInChI=1S/C9H6ClF3N4O/c10-6-1-5(9(11,12)13)2-14-8(6)15-3-7-16-4-18-17-7/h1-2,4H,3H2,(H,14,15)
InChIKeyVTJYSWKZAAFXIT-UHFFFAOYSA-N
MW278.62 g/mol
LogP2.75
Rot. Bonds3

About 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 113238278) has the molecular formula C9H6ClF3N4O and a molecular weight of 278.62 g/mol. Its IUPAC name is 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID113238278
Molecular FormulaC9H6ClF3N4O
Molecular Weight278.62 g/mol
Exact Mass278.02
IUPAC Name3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ncon2)c(Cl)c1
InChIInChI=1S/C9H6ClF3N4O/c10-6-1-5(9(11,12)13)2-14-8(6)15-3-7-16-4-18-17-7/h1-2,4H,3H2,(H,14,15)
InChIKeyVTJYSWKZAAFXIT-UHFFFAOYSA-N
XLogP2.75
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403591
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3,5-dichloro-2-N-ethyl-6-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,6-diamine
CID 114185511
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487649
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 71940000
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 107320716
6-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 114184724
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 78983980

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 113238278) is 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2ncon2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VTJYSWKZAAFXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4O/c10-6-1-5(9(11,12)13)2-14-8(6)15-3-7-16-4-18-17-7/h1-2,4H,3H2,(H,14,15).
What are the key properties of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.62 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 113238278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).