[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C10H8ClF3N4 — CID 79869668

IUPAC[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1-n1cc(Cl)cn1
InChIInChI=1S/C10H8ClF3N4/c11-7-4-16-18(5-7)9-6(3-15)1-2-8(17-9)10(12,13)14/h1-2,4-5H,3,15H2
InChIKeyJOOAOXYEBXBORF-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.40
Rot. Bonds2

About [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79869668) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79869668
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1-n1cc(Cl)cn1
InChIInChI=1S/C10H8ClF3N4/c11-7-4-16-18(5-7)9-6(3-15)1-2-8(17-9)10(12,13)14/h1-2,4-5H,3,15H2
InChIKeyJOOAOXYEBXBORF-UHFFFAOYSA-N
XLogP2.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79869668) is [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1-n1cc(Cl)cn1.
What is the InChIKey of [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is JOOAOXYEBXBORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c11-7-4-16-18(5-7)9-6(3-15)1-2-8(17-9)10(12,13)14/h1-2,4-5H,3,15H2.
What are the key properties of [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 276.65 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79869668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).