5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride

C7H9Cl2N3 — CID 131846942

IUPAC5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride
SMILESCc1nc(C#N)ccc1N.Cl.Cl
InChIInChI=1S/C7H7N3.2ClH/c1-5-7(9)3-2-6(4-8)10-5;;/h2-3H,9H2,1H3;2*1H
InChIKeyLWJFJNYWYHAJNM-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.69
Rot. Bonds

About 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride

5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride (PubChem CID 131846942) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride
PubChem CID131846942
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride
SMILESCc1nc(C#N)ccc1N.Cl.Cl
InChIInChI=1S/C7H7N3.2ClH/c1-5-7(9)3-2-6(4-8)10-5;;/h2-3H,9H2,1H3;2*1H
InChIKeyLWJFJNYWYHAJNM-UHFFFAOYSA-N
XLogP1.69
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride?
The IUPAC name of 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride (CID 131846942) is 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride.
What is the SMILES notation for 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride?
The canonical SMILES for 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride is Cc1nc(C#N)ccc1N.Cl.Cl.
What is the InChIKey of 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride?
The InChIKey is LWJFJNYWYHAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2ClH/c1-5-7(9)3-2-6(4-8)10-5;;/h2-3H,9H2,1H3;2*1H.
What are the key properties of 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride?
5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride has a molecular weight of 206.08 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride is sourced from PubChem (CID 131846942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).