[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride

C13H13Cl2F3N2 — CID 171365585

IUPAC[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H11F3N2.2ClH/c14-13(15,16)11-3-1-2-10(7-11)12-6-9(8-17)4-5-18-12;;/h1-7H,8,17H2;2*1H
InChIKeyHHYNSMALVGXSFA-UHFFFAOYSA-N
MW325.16 g/mol
LogP4.07
Rot. Bonds2

About [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride

[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride (PubChem CID 171365585) has the molecular formula C13H13Cl2F3N2 and a molecular weight of 325.16 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
PubChem CID171365585
Molecular FormulaC13H13Cl2F3N2
Molecular Weight325.16 g/mol
Exact Mass324.04
IUPAC Name[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H11F3N2.2ClH/c14-13(15,16)11-3-1-2-10(7-11)12-6-9(8-17)4-5-18-12;;/h1-7H,8,17H2;2*1H
InChIKeyHHYNSMALVGXSFA-UHFFFAOYSA-N
XLogP4.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride (CID 171365585) is [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride is Cl.Cl.NCc1ccnc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride?
The InChIKey is HHYNSMALVGXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2.2ClH/c14-13(15,16)11-3-1-2-10(7-11)12-6-9(8-17)4-5-18-12;;/h1-7H,8,17H2;2*1H.
What are the key properties of [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride?
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride has a molecular weight of 325.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 171365585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).