1-(2-amino-3-pyridinyl)-2-chloroethanone

C7H7ClN2O — CID 88729887

IUPAC1-(2-amino-3-pyridinyl)-2-chloroethanone
SMILESNc1ncccc1C(=O)CCl
InChIInChI=1S/C7H7ClN2O/c8-4-6(11)5-2-1-3-10-7(5)9/h1-3H,4H2,(H2,9,10)
InChIKeyUPFFVTWZMXRXFH-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.09
Rot. Bonds2

About 1-(2-amino-3-pyridinyl)-2-chloroethanone

1-(2-amino-3-pyridinyl)-2-chloroethanone (PubChem CID 88729887) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-chloroethanone
PubChem CID88729887
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name1-(2-amino-3-pyridinyl)-2-chloroethanone
SMILESNc1ncccc1C(=O)CCl
InChIInChI=1S/C7H7ClN2O/c8-4-6(11)5-2-1-3-10-7(5)9/h1-3H,4H2,(H2,9,10)
InChIKeyUPFFVTWZMXRXFH-UHFFFAOYSA-N
XLogP1.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(2-amino-3-pyridinyl)butan-1-one
CID 116556036
2-aminopyridine-3-carboxylate
CID 4116530
2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride
CID 144993767
1-(6-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-chloro(1,2-13C2)ethanone
CID 169433412
1-(2-amino-3-pyridinyl)-2-(3-chlorophenyl)sulfanylethanone
CID 66148493
3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one
CID 116603498
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
1-(2-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458902
2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide
CID 115597344
2-amino-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155108
2-amino-N'-methylpyridine-3-carbohydrazide
CID 86158893
1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-chloroethanone?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-chloroethanone (CID 88729887) is 1-(2-amino-3-pyridinyl)-2-chloroethanone.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-chloroethanone?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-chloroethanone is Nc1ncccc1C(=O)CCl.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-chloroethanone?
The InChIKey is UPFFVTWZMXRXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-4-6(11)5-2-1-3-10-7(5)9/h1-3H,4H2,(H2,9,10).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-chloroethanone?
1-(2-amino-3-pyridinyl)-2-chloroethanone has a molecular weight of 170.60 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-2-chloroethanone is sourced from PubChem (CID 88729887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).