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

C13H12ClF3N2 — CID 154904675

IUPAC[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2.ClH/c14-13(15,16)11-5-3-9(4-6-11)12-10(8-17)2-1-7-18-12;/h1-7H,8,17H2;1H
InChIKeyVGNXDFFSVZDMDY-UHFFFAOYSA-N
MW288.70 g/mol
LogP3.65
Rot. Bonds2

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

[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride (PubChem CID 154904675) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride
PubChem CID154904675
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2.ClH/c14-13(15,16)11-5-3-9(4-6-11)12-10(8-17)2-1-7-18-12;/h1-7H,8,17H2;1H
InChIKeyVGNXDFFSVZDMDY-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride (CID 154904675) is [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride is Cl.NCc1cccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride?
The InChIKey is VGNXDFFSVZDMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2.ClH/c14-13(15,16)11-5-3-9(4-6-11)12-10(8-17)2-1-7-18-12;/h1-7H,8,17H2;1H.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride?
[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride has a molecular weight of 288.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 154904675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).