1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone

C8H9ClN2O — CID 82655374

IUPAC1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C8H9ClN2O/c1-10-5-7(12)6-2-3-11-8(9)4-6/h2-4,10H,5H2,1H3
InChIKeyLEEVJFJMRJNWPV-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone

1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone (PubChem CID 82655374) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
PubChem CID82655374
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C8H9ClN2O/c1-10-5-7(12)6-2-3-11-8(9)4-6/h2-4,10H,5H2,1H3
InChIKeyLEEVJFJMRJNWPV-UHFFFAOYSA-N
XLogP1.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-pyridinyl)-2-(methylamino)prop-2-en-1-one
CID 140967080
1-(2-chloro-4-pyridinyl)-3-ethylhexan-1-one
CID 131863187
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
CID 24723737
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone
CID 90305435
3-[(2-chloropyridine-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 113263258
1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
CID 84680628
propyl 2-chloropyridine-4-carboxylate
CID 24723709
1-(2-chloro-4-pyridinyl)-2,2-diethoxyethanone
CID 162417624
2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-pyridinyl)ethanone
CID 104799261

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone (CID 82655374) is 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone is CNCC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone?
The InChIKey is LEEVJFJMRJNWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-10-5-7(12)6-2-3-11-8(9)4-6/h2-4,10H,5H2,1H3.
What are the key properties of 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone?
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone has a molecular weight of 184.63 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82655374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).