2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride

C7H6ClN3O — CID 144993767

IUPAC2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride
SMILES[H]/N=C(\C(=O)Cl)c1cccnc1N
InChIInChI=1S/C7H6ClN3O/c8-6(12)5(9)4-2-1-3-11-7(4)10/h1-3,9H,(H2,10,11)/b9-5-
InChIKeyDSVQLFPQVRZWGX-UITAMQMPSA-N
MW183.60 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride

2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride (PubChem CID 144993767) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride
PubChem CID144993767
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride
SMILES[H]/N=C(\C(=O)Cl)c1cccnc1N
InChIInChI=1S/C7H6ClN3O/c8-6(12)5(9)4-2-1-3-11-7(4)10/h1-3,9H,(H2,10,11)/b9-5-
InChIKeyDSVQLFPQVRZWGX-UITAMQMPSA-N
XLogP0.80
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-3-pyridinyl)-2-chloroethanone
CID 88729887
2-aminopyridine-3-carboxylate
CID 4116530
3-amino-1-(2-amino-3-pyridinyl)butan-1-one
CID 116556036
1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369
2-amino-N'-methylpyridine-3-carbohydrazide
CID 86158893
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
CID 87796835
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
2-amino-N',N'-dimethylpyridine-3-carbohydrazide
CID 83024659
(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
CID 116598621
1-(2-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458902
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
CID 86185812
(1R,2S,4R,5S,6S,7S)-7-[[[[1-amino-2-(2-amino-3-pyridinyl)-2-iminoethylidene]amino]-(1H-pyrrol-2-yl)methylidene]amino]tricyclo[3.2.2.02,4]nonane-6-carboxylic acid
CID 154956588

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride?
The IUPAC name of 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride (CID 144993767) is 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride is [H]/N=C(\C(=O)Cl)c1cccnc1N.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride?
The InChIKey is DSVQLFPQVRZWGX-UITAMQMPSA-N. The full InChI is InChI=1S/C7H6ClN3O/c8-6(12)5(9)4-2-1-3-11-7(4)10/h1-3,9H,(H2,10,11)/b9-5-.
What are the key properties of 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride?
2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride has a molecular weight of 183.60 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride is sourced from PubChem (CID 144993767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).