2-amino-6-cyanopyridine-3-carbonyl chloride

C7H4ClN3O — CID 130924272

IUPAC2-amino-6-cyanopyridine-3-carbonyl chloride
SMILESN#Cc1ccc(C(=O)Cl)c(N)n1
InChIInChI=1S/C7H4ClN3O/c8-6(12)5-2-1-4(3-9)11-7(5)10/h1-2H,(H2,10,11)
InChIKeyQVGFLOKHJHCWJU-UHFFFAOYSA-N
MW181.58 g/mol
LogP0.91
Rot. Bonds1

About 2-amino-6-cyanopyridine-3-carbonyl chloride

2-amino-6-cyanopyridine-3-carbonyl chloride (PubChem CID 130924272) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 2-amino-6-cyanopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-amino-6-cyanopyridine-3-carbonyl chloride
PubChem CID130924272
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name2-amino-6-cyanopyridine-3-carbonyl chloride
SMILESN#Cc1ccc(C(=O)Cl)c(N)n1
InChIInChI=1S/C7H4ClN3O/c8-6(12)5-2-1-4(3-9)11-7(5)10/h1-2H,(H2,10,11)
InChIKeyQVGFLOKHJHCWJU-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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Related Compounds

6-amino-5-chloropyridine-2-carbonitrile
CID 121227574
6-amino-5-bromopyridine-2-carbonitrile
CID 55252878
6-cyano-2-(difluoromethyl)pyridine-3-carboxamide
CID 130096117
6-cyano-3-methoxypyridine-2-carbonyl chloride
CID 131090812
6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 57347102
ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899
methyl 6-cyano-2-methoxypyridine-3-carboxylate
CID 131010870
2-amino-6-cyano-3-(difluoromethyl)pyridine-4-carboxamide
CID 118995384
3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
3-(2-amino-6-bromo-3-pyridinyl)-3-oxopropanenitrile
CID 154649475
3-cyano-2,4-dimethylbenzoyl chloride
CID 171015367
2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile
CID 134986949

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyanopyridine-3-carbonyl chloride?
The IUPAC name of 2-amino-6-cyanopyridine-3-carbonyl chloride (CID 130924272) is 2-amino-6-cyanopyridine-3-carbonyl chloride.
What is the SMILES notation for 2-amino-6-cyanopyridine-3-carbonyl chloride?
The canonical SMILES for 2-amino-6-cyanopyridine-3-carbonyl chloride is N#Cc1ccc(C(=O)Cl)c(N)n1.
What is the InChIKey of 2-amino-6-cyanopyridine-3-carbonyl chloride?
The InChIKey is QVGFLOKHJHCWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-6(12)5-2-1-4(3-9)11-7(5)10/h1-2H,(H2,10,11).
What are the key properties of 2-amino-6-cyanopyridine-3-carbonyl chloride?
2-amino-6-cyanopyridine-3-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 2-amino-6-cyanopyridine-3-carbonyl chloride is sourced from PubChem (CID 130924272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).