3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine

C9H8BrClN4 — CID 114663371

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine
SMILESCn1ncc(Br)c1-c1cc(Cl)cnc1N
InChIInChI=1S/C9H8BrClN4/c1-15-8(7(10)4-14-15)6-2-5(11)3-13-9(6)12/h2-4H,1H3,(H2,12,13)
InChIKeySLZNSBVRGWVBBQ-UHFFFAOYSA-N
MW287.55 g/mol
LogP2.48
Rot. Bonds1

About 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine

3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine (PubChem CID 114663371) has the molecular formula C9H8BrClN4 and a molecular weight of 287.55 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine
PubChem CID114663371
Molecular FormulaC9H8BrClN4
Molecular Weight287.55 g/mol
Exact Mass285.96
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine
SMILESCn1ncc(Br)c1-c1cc(Cl)cnc1N
InChIInChI=1S/C9H8BrClN4/c1-15-8(7(10)4-14-15)6-2-5(11)3-13-9(6)12/h2-4H,1H3,(H2,12,13)
InChIKeySLZNSBVRGWVBBQ-UHFFFAOYSA-N
XLogP2.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine (CID 114663371) is 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine is Cn1ncc(Br)c1-c1cc(Cl)cnc1N.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine?
The InChIKey is SLZNSBVRGWVBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN4/c1-15-8(7(10)4-14-15)6-2-5(11)3-13-9(6)12/h2-4H,1H3,(H2,12,13).
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine?
3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine has a molecular weight of 287.55 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)-5-chloropyridin-2-amine is sourced from PubChem (CID 114663371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).