[4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone

C13H9F3N2O — CID 684466

IUPAC[4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone
SMILESNc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)12-10(9(17)6-7-18-12)11(19)8-4-2-1-3-5-8/h1-7H,(H2,17,18)
InChIKeyKJDWEDCXDHPTEP-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.91
Rot. Bonds2

About [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone

[4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone (PubChem CID 684466) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone
PubChem CID684466
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name[4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone
SMILESNc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)12-10(9(17)6-7-18-12)11(19)8-4-2-1-3-5-8/h1-7H,(H2,17,18)
InChIKeyKJDWEDCXDHPTEP-UHFFFAOYSA-N
XLogP2.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
The IUPAC name of [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone (CID 684466) is [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone is Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1.
What is the InChIKey of [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
The InChIKey is KJDWEDCXDHPTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)12-10(9(17)6-7-18-12)11(19)8-4-2-1-3-5-8/h1-7H,(H2,17,18).
What are the key properties of [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
[4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone has a molecular weight of 266.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 684466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).