3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine

C12H16ClF3N2 — CID 63541959

IUPAC3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)C(C)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H16ClF3N2/c1-4-7(2)8(3)18-11-10(13)5-9(6-17-11)12(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyDJBYMDPLXPCBER-UHFFFAOYSA-N
MW280.72 g/mol
LogP4.60
Rot. Bonds4

About 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 63541959) has the molecular formula C12H16ClF3N2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID63541959
Molecular FormulaC12H16ClF3N2
Molecular Weight280.72 g/mol
Exact Mass280.10
IUPAC Name3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)C(C)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H16ClF3N2/c1-4-7(2)8(3)18-11-10(13)5-9(6-17-11)12(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyDJBYMDPLXPCBER-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 63541959) is 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine is CCC(C)C(C)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DJBYMDPLXPCBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2/c1-4-7(2)8(3)18-11-10(13)5-9(6-17-11)12(14,15)16/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63541959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).