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

C7H6F4N2 — CID 163295366

IUPAC[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(F)cc1C(F)(F)F
InChIInChI=1S/C7H6F4N2/c8-4-1-5(7(9,10)11)6(2-12)13-3-4/h1,3H,2,12H2
InChIKeyBRUCHLULCSMQGN-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.70
Rot. Bonds1

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

[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 163295366) has the molecular formula C7H6F4N2 and a molecular weight of 194.13 g/mol. Its IUPAC name is [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID163295366
Molecular FormulaC7H6F4N2
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(F)cc1C(F)(F)F
InChIInChI=1S/C7H6F4N2/c8-4-1-5(7(9,10)11)6(2-12)13-3-4/h1,3H,2,12H2
InChIKeyBRUCHLULCSMQGN-UHFFFAOYSA-N
XLogP1.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine (CID 163295366) is [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1ncc(F)cc1C(F)(F)F.
What is the InChIKey of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is BRUCHLULCSMQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2/c8-4-1-5(7(9,10)11)6(2-12)13-3-4/h1,3H,2,12H2.
What are the key properties of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine?
[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 194.13 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 163295366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).