4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride

C12H10ClF3N2O — CID 23723155

IUPAC4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride
SMILESCl.Nc1cnccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O.ClH/c13-12(14,15)8-2-1-3-9(6-8)18-11-4-5-17-7-10(11)16;/h1-7H,16H2;1H
InChIKeyQPDHRWXKDVHRJB-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.90
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride

4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride (PubChem CID 23723155) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride
PubChem CID23723155
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride
SMILESCl.Nc1cnccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O.ClH/c13-12(14,15)8-2-1-3-9(6-8)18-11-4-5-17-7-10(11)16;/h1-7H,16H2;1H
InChIKeyQPDHRWXKDVHRJB-UHFFFAOYSA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride (CID 23723155) is 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride is Cl.Nc1cnccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride?
The InChIKey is QPDHRWXKDVHRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O.ClH/c13-12(14,15)8-2-1-3-9(6-8)18-11-4-5-17-7-10(11)16;/h1-7H,16H2;1H.
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride?
4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride has a molecular weight of 290.67 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenoxy]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 23723155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).