[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone

C14H11F3N2O — CID 116601926

IUPAC[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESNCc1cc(C(=O)c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-9(2-4-11)13(20)10-5-6-19-12(7-10)8-18/h1-7H,8,18H2
InChIKeySFFPWSRXKLJQHA-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.79
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone

[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 116601926) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID116601926
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESNCc1cc(C(=O)c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-9(2-4-11)13(20)10-5-6-19-12(7-10)8-18/h1-7H,8,18H2
InChIKeySFFPWSRXKLJQHA-UHFFFAOYSA-N
XLogP2.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone (CID 116601926) is [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone is NCc1cc(C(=O)c2ccc(C(F)(F)F)cc2)ccn1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is SFFPWSRXKLJQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-9(2-4-11)13(20)10-5-6-19-12(7-10)8-18/h1-7H,8,18H2.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone?
[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 280.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116601926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).