N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C12H15ClF3N3 — CID 116653233

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)C(CN)C1CC1
InChIInChI=1S/C12H15ClF3N3/c1-19(10(5-17)7-2-3-7)11-9(13)4-8(6-18-11)12(14,15)16/h4,6-7,10H,2-3,5,17H2,1H3
InChIKeyBGWQJEITWLDXJG-UHFFFAOYSA-N
MW293.72 g/mol
LogP2.93
Rot. Bonds4

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116653233) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116653233
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)C(CN)C1CC1
InChIInChI=1S/C12H15ClF3N3/c1-19(10(5-17)7-2-3-7)11-9(13)4-8(6-18-11)12(14,15)16/h4,6-7,10H,2-3,5,17H2,1H3
InChIKeyBGWQJEITWLDXJG-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine
CID 125471389
1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 116653234
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 95345894
1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115318124
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 102637871
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-N-methyl-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 71640871

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116653233) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CN(c1ncc(C(F)(F)F)cc1Cl)C(CN)C1CC1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is BGWQJEITWLDXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-19(10(5-17)7-2-3-7)11-9(13)4-8(6-18-11)12(14,15)16/h4,6-7,10H,2-3,5,17H2,1H3.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 293.72 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116653233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).