1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine

C11H11BrN4O2 — CID 122573626

IUPAC1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Br)c(C3OCCO3)n2)n1
InChIInChI=1S/C11H11BrN4O2/c12-7-1-2-9(16-4-3-8(13)15-16)14-10(7)11-17-5-6-18-11/h1-4,11H,5-6H2,(H2,13,15)
InChIKeyIVXAXSDVWCDCIE-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.66
Rot. Bonds2

About 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine

1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine (PubChem CID 122573626) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine
PubChem CID122573626
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Br)c(C3OCCO3)n2)n1
InChIInChI=1S/C11H11BrN4O2/c12-7-1-2-9(16-4-3-8(13)15-16)14-10(7)11-17-5-6-18-11/h1-4,11H,5-6H2,(H2,13,15)
InChIKeyIVXAXSDVWCDCIE-UHFFFAOYSA-N
XLogP1.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine?
The IUPAC name of 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine (CID 122573626) is 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine.
What is the SMILES notation for 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine?
The canonical SMILES for 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine is Nc1ccn(-c2ccc(Br)c(C3OCCO3)n2)n1.
What is the InChIKey of 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine?
The InChIKey is IVXAXSDVWCDCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c12-7-1-2-9(16-4-3-8(13)15-16)14-10(7)11-17-5-6-18-11/h1-4,11H,5-6H2,(H2,13,15).
What are the key properties of 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine?
1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine has a molecular weight of 311.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-6-(1,3-dioxolan-2-yl)-2-pyridinyl]pyrazol-3-amine is sourced from PubChem (CID 122573626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).