[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine

C13H11F3N2 — CID 71301549

IUPAC[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
SMILESNCc1cncc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12-4-2-1-3-11(12)10-5-9(6-17)7-18-8-10/h1-5,7-8H,6,17H2
InChIKeyGDCCHQMVNPGMSC-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.23
Rot. Bonds2

About [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine

[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine (PubChem CID 71301549) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
PubChem CID71301549
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
SMILESNCc1cncc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12-4-2-1-3-11(12)10-5-9(6-17)7-18-8-10/h1-5,7-8H,6,17H2
InChIKeyGDCCHQMVNPGMSC-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The IUPAC name of [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine (CID 71301549) is [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The canonical SMILES for [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine is NCc1cncc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The InChIKey is GDCCHQMVNPGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)12-4-2-1-3-11(12)10-5-9(6-17)7-18-8-10/h1-5,7-8H,6,17H2.
What are the key properties of [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine has a molecular weight of 252.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 71301549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).