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

C7H8ClN3 — CID 70701084

IUPAC5-amino-6-methylpyridine-2-carbonitrile;hydrochloride
SMILESCc1nc(C#N)ccc1N.Cl
InChIInChI=1S/C7H7N3.ClH/c1-5-7(9)3-2-6(4-8)10-5;/h2-3H,9H2,1H3;1H
InChIKeyXWBDXCJSKQQANE-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.27
Rot. Bonds

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

5-amino-6-methylpyridine-2-carbonitrile;hydrochloride (PubChem CID 70701084) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 5-amino-6-methylpyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-amino-6-methylpyridine-2-carbonitrile;hydrochloride
PubChem CID70701084
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name5-amino-6-methylpyridine-2-carbonitrile;hydrochloride
SMILESCc1nc(C#N)ccc1N.Cl
InChIInChI=1S/C7H7N3.ClH/c1-5-7(9)3-2-6(4-8)10-5;/h2-3H,9H2,1H3;1H
InChIKeyXWBDXCJSKQQANE-UHFFFAOYSA-N
XLogP1.27
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.27
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;hydrochloride?
The IUPAC name of 5-amino-6-methylpyridine-2-carbonitrile;hydrochloride (CID 70701084) is 5-amino-6-methylpyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-amino-6-methylpyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-amino-6-methylpyridine-2-carbonitrile;hydrochloride is Cc1nc(C#N)ccc1N.Cl.
What is the InChIKey of 5-amino-6-methylpyridine-2-carbonitrile;hydrochloride?
The InChIKey is XWBDXCJSKQQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.ClH/c1-5-7(9)3-2-6(4-8)10-5;/h2-3H,9H2,1H3;1H.
What are the key properties of 5-amino-6-methylpyridine-2-carbonitrile;hydrochloride?
5-amino-6-methylpyridine-2-carbonitrile;hydrochloride has a molecular weight of 169.62 g/mol, XLogP of 1.27, 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;hydrochloride is sourced from PubChem (CID 70701084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).