[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine

C12H10F3N3S — CID 43528896

IUPAC[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Sc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)9-1-2-10(18-7-9)19-11-5-8(6-16)3-4-17-11/h1-5,7H,6,16H2
InChIKeyBNEBPOBGFMIIPH-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.11
Rot. Bonds3

About [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine

[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine (PubChem CID 43528896) has the molecular formula C12H10F3N3S and a molecular weight of 285.29 g/mol. Its IUPAC name is [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine
PubChem CID43528896
Molecular FormulaC12H10F3N3S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Sc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)9-1-2-10(18-7-9)19-11-5-8(6-16)3-4-17-11/h1-5,7H,6,16H2
InChIKeyBNEBPOBGFMIIPH-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine?
The IUPAC name of [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine (CID 43528896) is [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine is NCc1ccnc(Sc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine?
The InChIKey is BNEBPOBGFMIIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S/c13-12(14,15)9-1-2-10(18-7-9)19-11-5-8(6-16)3-4-17-11/h1-5,7H,6,16H2.
What are the key properties of [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine?
[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine has a molecular weight of 285.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine is sourced from PubChem (CID 43528896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).