N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C13H12ClF3N2OS — CID 43677189

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF3N2OS/c1-8(10-3-4-11(14)21-10)19-9-2-5-12(18-6-9)20-7-13(15,16)17/h2-6,8,19H,7H2,1H3
InChIKeyKLZYLSTUNCMLCT-UHFFFAOYSA-N
MW336.77 g/mol
LogP4.91
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677189) has the molecular formula C13H12ClF3N2OS and a molecular weight of 336.77 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677189
Molecular FormulaC13H12ClF3N2OS
Molecular Weight336.77 g/mol
Exact Mass336.03
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF3N2OS/c1-8(10-3-4-11(14)21-10)19-9-2-5-12(18-6-9)20-7-13(15,16)17/h2-6,8,19H,7H2,1H3
InChIKeyKLZYLSTUNCMLCT-UHFFFAOYSA-N
XLogP4.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 115922153
N-[1-(4-bromothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 107353984
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541342
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111702263
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677152
N-(3-propan-2-ylcyclobutyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 103561117

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677189) is N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is KLZYLSTUNCMLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2OS/c1-8(10-3-4-11(14)21-10)19-9-2-5-12(18-6-9)20-7-13(15,16)17/h2-6,8,19H,7H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 336.77 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).