N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride

C9H12ClF3N2O — CID 175018147

IUPACN,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
SMILESCNc1cc(C)c(OCC(F)(F)F)cn1.Cl
InChIInChI=1S/C9H11F3N2O.ClH/c1-6-3-8(13-2)14-4-7(6)15-5-9(10,11)12;/h3-4H,5H2,1-2H3,(H,13,14);1H
InChIKeyPOSVIPMPKYXKDU-UHFFFAOYSA-N
MW256.65 g/mol
LogP2.79
Rot. Bonds3

About N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride

N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride (PubChem CID 175018147) has the molecular formula C9H12ClF3N2O and a molecular weight of 256.65 g/mol. Its IUPAC name is N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
PubChem CID175018147
Molecular FormulaC9H12ClF3N2O
Molecular Weight256.65 g/mol
Exact Mass256.06
IUPAC NameN,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
SMILESCNc1cc(C)c(OCC(F)(F)F)cn1.Cl
InChIInChI=1S/C9H11F3N2O.ClH/c1-6-3-8(13-2)14-4-7(6)15-5-9(10,11)12;/h3-4H,5H2,1-2H3,(H,13,14);1H
InChIKeyPOSVIPMPKYXKDU-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride?
The IUPAC name of N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride (CID 175018147) is N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride.
What is the SMILES notation for N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride?
The canonical SMILES for N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride is CNc1cc(C)c(OCC(F)(F)F)cn1.Cl.
What is the InChIKey of N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride?
The InChIKey is POSVIPMPKYXKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.ClH/c1-6-3-8(13-2)14-4-7(6)15-5-9(10,11)12;/h3-4H,5H2,1-2H3,(H,13,14);1H.
What are the key properties of N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride?
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride has a molecular weight of 256.65 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 175018147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).