3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C13H14ClF3N2 — CID 60712371

IUPAC3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC(C2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C13H14ClF3N2/c14-10-5-9(13(15,16)17)6-18-12(10)19-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,18,19)
InChIKeyZLYMCHZXHJGUCZ-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.35
Rot. Bonds4

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

3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60712371) has the molecular formula C13H14ClF3N2 and a molecular weight of 290.72 g/mol. Its IUPAC name is 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60712371
Molecular FormulaC13H14ClF3N2
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC(C2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C13H14ClF3N2/c14-10-5-9(13(15,16)17)6-18-12(10)19-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,18,19)
InChIKeyZLYMCHZXHJGUCZ-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
3-chloro-N-(1-oxothian-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 115886614
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 106126082

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 60712371) is 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NC(C2CC2)C2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZLYMCHZXHJGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2/c14-10-5-9(13(15,16)17)6-18-12(10)19-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,18,19).
What are the key properties of 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.72 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60712371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).