[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine

C12H10F3N3 — CID 122516916

IUPAC[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(-c2cccnc2)nc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11-5-8(6-16)4-10(18-11)9-2-1-3-17-7-9/h1-5,7H,6,16H2
InChIKeyABRVLXLNVJHDRQ-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.62
Rot. Bonds2

About [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine

[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 122516916) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID122516916
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(-c2cccnc2)nc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11-5-8(6-16)4-10(18-11)9-2-1-3-17-7-9/h1-5,7H,6,16H2
InChIKeyABRVLXLNVJHDRQ-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine (CID 122516916) is [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(-c2cccnc2)nc(C(F)(F)F)c1.
What is the InChIKey of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is ABRVLXLNVJHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)11-5-8(6-16)4-10(18-11)9-2-1-3-17-7-9/h1-5,7H,6,16H2.
What are the key properties of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 253.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 122516916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).