6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride

C9H11Cl3N4 — CID 154577022

IUPAC6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Cn1ncc(-c2cccc(N)n2)c1Cl
InChIInChI=1S/C9H9ClN4.2ClH/c1-14-9(10)6(5-12-14)7-3-2-4-8(11)13-7;;/h2-5H,1H3,(H2,11,13);2*1H
InChIKeyAIEACGHLZTWKJW-UHFFFAOYSA-N
MW281.57 g/mol
LogP2.56
Rot. Bonds1

About 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride

6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride (PubChem CID 154577022) has the molecular formula C9H11Cl3N4 and a molecular weight of 281.57 g/mol. Its IUPAC name is 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride
PubChem CID154577022
Molecular FormulaC9H11Cl3N4
Molecular Weight281.57 g/mol
Exact Mass280.00
IUPAC Name6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Cn1ncc(-c2cccc(N)n2)c1Cl
InChIInChI=1S/C9H9ClN4.2ClH/c1-14-9(10)6(5-12-14)7-3-2-4-8(11)13-7;;/h2-5H,1H3,(H2,11,13);2*1H
InChIKeyAIEACGHLZTWKJW-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride?
The IUPAC name of 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride (CID 154577022) is 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride is Cl.Cl.Cn1ncc(-c2cccc(N)n2)c1Cl.
What is the InChIKey of 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride?
The InChIKey is AIEACGHLZTWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4.2ClH/c1-14-9(10)6(5-12-14)7-3-2-4-8(11)13-7;;/h2-5H,1H3,(H2,11,13);2*1H.
What are the key properties of 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride?
6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride has a molecular weight of 281.57 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 154577022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).