5-Amino-4-chloronicotinonitrile

C₆H₄ClN₃ — CID 99981294

About 5-Amino-4-chloronicotinonitrile

5-Amino-4-chloronicotinonitrile (PubChem CID 99981294) has the molecular formula C₆H₄ClN₃ and a molecular weight of 153.57 g/mol. Its IUPAC name is 5-amino-4-chloropyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-Amino-4-chloronicotinonitrile
• PubChem CID: 99981294
• Molecular Formula: C₆H₄ClN₃
• Molecular Weight: 153.57 g/mol
• Exact Mass: 153.01
• IUPAC Name: 5-amino-4-chloropyridine-3-carbonitrile
• SMILES: N#Cc1cncc(N)c1Cl
• InChI: InChI=1S/C6H4ClN3/c7-6-4(1-8)2-10-3-5(6)9/h2-3H,9H2
• InChIKey: AYNPVVCLURUUBX-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 62.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	153.57
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-Amino-4-chloronicotinonitrile?

The IUPAC name of 5-Amino-4-chloronicotinonitrile (CID 99981294) is 5-amino-4-chloropyridine-3-carbonitrile.

What is the SMILES notation for 5-Amino-4-chloronicotinonitrile?

The canonical SMILES for 5-Amino-4-chloronicotinonitrile is N#Cc1cncc(N)c1Cl.

What is the InChIKey of 5-Amino-4-chloronicotinonitrile?

The InChIKey is AYNPVVCLURUUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-6-4(1-8)2-10-3-5(6)9/h2-3H,9H2.

What are the key properties of 5-Amino-4-chloronicotinonitrile?

5-Amino-4-chloronicotinonitrile has a molecular weight of 153.57 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Amino-4-chloronicotinonitrile is sourced from PubChem (CID 99981294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 99981294 — identifiers, structure, computed properties (public domain)

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