2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)

C12H10F6N4O4 — CID 159342983

IUPAC2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1ccnc(-n2cccn2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H8N4.2C2HF3O2/c9-7-2-4-10-8(6-7)12-5-1-3-11-12;2*3-2(4,5)1(6)7/h1-6H,(H2,9,10);2*(H,6,7)
InChIKeyLGJDFPKUEHDAAQ-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.12
Rot. Bonds1

About 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)

2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 159342983) has the molecular formula C12H10F6N4O4 and a molecular weight of 388.22 g/mol. Its IUPAC name is 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID159342983
Molecular FormulaC12H10F6N4O4
Molecular Weight388.22 g/mol
Exact Mass388.06
IUPAC Name2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1ccnc(-n2cccn2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H8N4.2C2HF3O2/c9-7-2-4-10-8(6-7)12-5-1-3-11-12;2*3-2(4,5)1(6)7/h1-6H,(H2,9,10);2*(H,6,7)
InChIKeyLGJDFPKUEHDAAQ-UHFFFAOYSA-N
XLogP2.12
TPSA131.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 159342983) is 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid) is Nc1ccnc(-n2cccn2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LGJDFPKUEHDAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4.2C2HF3O2/c9-7-2-4-10-8(6-7)12-5-1-3-11-12;2*3-2(4,5)1(6)7/h1-6H,(H2,9,10);2*(H,6,7).
What are the key properties of 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?
2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 388.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159342983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).