4-amino-5-cyanopyridine-2-carbonyl chloride

C7H4ClN3O — CID 118829142

IUPAC4-amino-5-cyanopyridine-2-carbonyl chloride
SMILESN#Cc1cnc(C(=O)Cl)cc1N
InChIInChI=1S/C7H4ClN3O/c8-7(12)6-1-5(10)4(2-9)3-11-6/h1,3H,(H2,10,11)
InChIKeyNQOSFHHAILLSGQ-UHFFFAOYSA-N
MW181.58 g/mol
LogP0.91
Rot. Bonds1

About 4-amino-5-cyanopyridine-2-carbonyl chloride

4-amino-5-cyanopyridine-2-carbonyl chloride (PubChem CID 118829142) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 4-amino-5-cyanopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-amino-5-cyanopyridine-2-carbonyl chloride
PubChem CID118829142
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name4-amino-5-cyanopyridine-2-carbonyl chloride
SMILESN#Cc1cnc(C(=O)Cl)cc1N
InChIInChI=1S/C7H4ClN3O/c8-7(12)6-1-5(10)4(2-9)3-11-6/h1,3H,(H2,10,11)
InChIKeyNQOSFHHAILLSGQ-UHFFFAOYSA-N
XLogP0.91
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyanopyridine-2-carbonyl chloride?
The IUPAC name of 4-amino-5-cyanopyridine-2-carbonyl chloride (CID 118829142) is 4-amino-5-cyanopyridine-2-carbonyl chloride.
What is the SMILES notation for 4-amino-5-cyanopyridine-2-carbonyl chloride?
The canonical SMILES for 4-amino-5-cyanopyridine-2-carbonyl chloride is N#Cc1cnc(C(=O)Cl)cc1N.
What is the InChIKey of 4-amino-5-cyanopyridine-2-carbonyl chloride?
The InChIKey is NQOSFHHAILLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-7(12)6-1-5(10)4(2-9)3-11-6/h1,3H,(H2,10,11).
What are the key properties of 4-amino-5-cyanopyridine-2-carbonyl chloride?
4-amino-5-cyanopyridine-2-carbonyl chloride has a molecular weight of 181.58 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyanopyridine-2-carbonyl chloride is sourced from PubChem (CID 118829142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).