1-(6-chloro-3-methoxy-2-pyridinyl)ethanone

C8H8ClNO2 — CID 119004175

IUPAC1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccc(Cl)nc1C(C)=O
InChIInChI=1S/C8H8ClNO2/c1-5(11)8-6(12-2)3-4-7(9)10-8/h3-4H,1-2H3
InChIKeyMULNNUDUVKLRII-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.95
Rot. Bonds2

About 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone

1-(6-chloro-3-methoxy-2-pyridinyl)ethanone (PubChem CID 119004175) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
PubChem CID119004175
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccc(Cl)nc1C(C)=O
InChIInChI=1S/C8H8ClNO2/c1-5(11)8-6(12-2)3-4-7(9)10-8/h3-4H,1-2H3
InChIKeyMULNNUDUVKLRII-UHFFFAOYSA-N
XLogP1.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-acetyl-3-methoxypyridine-2-carboxylic acid
CID 83818532
(4-cyano-2-methoxyphenyl) 3,6-dichloropyridine-2-carboxylate
CID 26892156
3,6-dichloro-N'-(4-chloro-2-methoxybenzoyl)pyridine-2-carbohydrazide
CID 35855860
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
ethyl 3-(6-chloro-3-methoxy-2-pyridinyl)butanoate
CID 126599107
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
CID 79421839
6-cyano-3-methoxypyridine-2-carbonyl chloride
CID 131090812
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone
CID 163278723
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone (CID 119004175) is 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone is COc1ccc(Cl)nc1C(C)=O.
What is the InChIKey of 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone?
The InChIKey is MULNNUDUVKLRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5(11)8-6(12-2)3-4-7(9)10-8/h3-4H,1-2H3.
What are the key properties of 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone?
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone has a molecular weight of 185.61 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 119004175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).