N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

C9H12ClF3N2O — CID 174836554

IUPACN-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCCNc1ccc(OCC(F)(F)F)nc1.Cl
InChIInChI=1S/C9H11F3N2O.ClH/c1-2-13-7-3-4-8(14-5-7)15-6-9(10,11)12;/h3-5,13H,2,6H2,1H3;1H
InChIKeyMZWAYYHZGRJZEF-UHFFFAOYSA-N
MW256.65 g/mol
LogP2.88
Rot. Bonds4

About N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (PubChem CID 174836554) has the molecular formula C9H12ClF3N2O and a molecular weight of 256.65 g/mol. Its IUPAC name is N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
PubChem CID174836554
Molecular FormulaC9H12ClF3N2O
Molecular Weight256.65 g/mol
Exact Mass256.06
IUPAC NameN-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCCNc1ccc(OCC(F)(F)F)nc1.Cl
InChIInChI=1S/C9H11F3N2O.ClH/c1-2-13-7-3-4-8(14-5-7)15-6-9(10,11)12;/h3-5,13H,2,6H2,1H3;1H
InChIKeyMZWAYYHZGRJZEF-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 55030411
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677152
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
N-[(4-methylsulfinylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 75386395
N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677195
N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 64501049
N-(3-propan-2-ylcyclobutyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 103561117
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 102831930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The IUPAC name of N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (CID 174836554) is N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The canonical SMILES for N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is CCNc1ccc(OCC(F)(F)F)nc1.Cl.
What is the InChIKey of N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The InChIKey is MZWAYYHZGRJZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.ClH/c1-2-13-7-3-4-8(14-5-7)15-6-9(10,11)12;/h3-5,13H,2,6H2,1H3;1H.
What are the key properties of N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride has a molecular weight of 256.65 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is sourced from PubChem (CID 174836554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).