5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine

C8H6BrClN4 — CID 103518610

IUPAC5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine
SMILESNc1cncc(Br)c1-n1cc(Cl)cn1
InChIInChI=1S/C8H6BrClN4/c9-6-2-12-3-7(11)8(6)14-4-5(10)1-13-14/h1-4H,11H2
InChIKeyJQTOZZANHMHJDQ-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.27
Rot. Bonds1

About 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine

5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine (PubChem CID 103518610) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine
PubChem CID103518610
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine
SMILESNc1cncc(Br)c1-n1cc(Cl)cn1
InChIInChI=1S/C8H6BrClN4/c9-6-2-12-3-7(11)8(6)14-4-5(10)1-13-14/h1-4H,11H2
InChIKeyJQTOZZANHMHJDQ-UHFFFAOYSA-N
XLogP2.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine (CID 103518610) is 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine is Nc1cncc(Br)c1-n1cc(Cl)cn1.
What is the InChIKey of 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine?
The InChIKey is JQTOZZANHMHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c9-6-2-12-3-7(11)8(6)14-4-5(10)1-13-14/h1-4H,11H2.
What are the key properties of 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine?
5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine has a molecular weight of 273.52 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 103518610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).