1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride

C10H13Cl2FN4 — CID 146157882

IUPAC1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
SMILESCC(N)c1ccc(-n2cc(F)cn2)nc1.Cl.Cl
InChIInChI=1S/C10H11FN4.2ClH/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;;/h2-7H,12H2,1H3;2*1H
InChIKeyFFJXYYVMNJUPEN-UHFFFAOYSA-N
MW279.15 g/mol
LogP2.27
Rot. Bonds2

About 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride

1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride (PubChem CID 146157882) has the molecular formula C10H13Cl2FN4 and a molecular weight of 279.15 g/mol. Its IUPAC name is 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
PubChem CID146157882
Molecular FormulaC10H13Cl2FN4
Molecular Weight279.15 g/mol
Exact Mass278.05
IUPAC Name1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
SMILESCC(N)c1ccc(-n2cc(F)cn2)nc1.Cl.Cl
InChIInChI=1S/C10H11FN4.2ClH/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;;/h2-7H,12H2,1H3;2*1H
InChIKeyFFJXYYVMNJUPEN-UHFFFAOYSA-N
XLogP2.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride?
The IUPAC name of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride (CID 146157882) is 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride is CC(N)c1ccc(-n2cc(F)cn2)nc1.Cl.Cl.
What is the InChIKey of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride?
The InChIKey is FFJXYYVMNJUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4.2ClH/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;;/h2-7H,12H2,1H3;2*1H.
What are the key properties of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride?
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride has a molecular weight of 279.15 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride is sourced from PubChem (CID 146157882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).