1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone

C8H8ClNO3 — CID 130729609

IUPAC1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone
SMILESCOc1cc(Cl)ncc1C(=O)CO
InChIInChI=1S/C8H8ClNO3/c1-13-7-2-8(9)10-3-5(7)6(12)4-11/h2-3,11H,4H2,1H3
InChIKeyAFNNUSYJEFDTFG-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.92
Rot. Bonds3

About 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone

1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone (PubChem CID 130729609) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone
PubChem CID130729609
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone
SMILESCOc1cc(Cl)ncc1C(=O)CO
InChIInChI=1S/C8H8ClNO3/c1-13-7-2-8(9)10-3-5(7)6(12)4-11/h2-3,11H,4H2,1H3
InChIKeyAFNNUSYJEFDTFG-UHFFFAOYSA-N
XLogP0.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
ethyl 3-(6-chloro-4-methoxy-3-pyridinyl)-3-oxopropanoate
CID 88921815
6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609966
2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
CID 145142821
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 163391109
4-(6-chloro-4-methoxy-3-pyridinyl)-3-hydroxy-3-methylbutan-2-one
CID 88921695
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
(Z)-2-(6-chloro-4-methoxy-3-pyridinyl)-3-propan-2-yliminoprop-1-en-1-amine
CID 176871395
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone
CID 153438830
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone?
The IUPAC name of 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone (CID 130729609) is 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone?
The canonical SMILES for 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone is COc1cc(Cl)ncc1C(=O)CO.
What is the InChIKey of 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone?
The InChIKey is AFNNUSYJEFDTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-13-7-2-8(9)10-3-5(7)6(12)4-11/h2-3,11H,4H2,1H3.
What are the key properties of 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone?
1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone has a molecular weight of 201.61 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone is sourced from PubChem (CID 130729609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).