2-chloro-3-methoxy-5-methylpyridine

C7H8ClNO — CID 46318108

IUPAC2-chloro-3-methoxy-5-methylpyridine
SMILESCOc1cc(C)cnc1Cl
InChIInChI=1S/C7H8ClNO/c1-5-3-6(10-2)7(8)9-4-5/h3-4H,1-2H3
InChIKeyHNYOWJROVIRPCU-UHFFFAOYSA-N
MW157.60 g/mol
LogP2.05
Rot. Bonds1

About 2-chloro-3-methoxy-5-methylpyridine

2-chloro-3-methoxy-5-methylpyridine (PubChem CID 46318108) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloro-3-methoxy-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-3-methoxy-5-methylpyridine
PubChem CID46318108
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name2-chloro-3-methoxy-5-methylpyridine
SMILESCOc1cc(C)cnc1Cl
InChIInChI=1S/C7H8ClNO/c1-5-3-6(10-2)7(8)9-4-5/h3-4H,1-2H3
InChIKeyHNYOWJROVIRPCU-UHFFFAOYSA-N
XLogP2.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-5-methoxy-3-pyridinyl)methanol
CID 59297074
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
3-chloro-2-methoxy-5-methylpyridine;methanamine
CID 163239681
4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine
CID 86717818
3-methoxy-5-methyl-2-(2-methylpropyl)pyridine
CID 91230939
bromomethane;2-chloro-3-fluoro-5-methylpyridine
CID 143545285
N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167614204
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine
CID 54001708
3-chloro-2-(2,5-dimethoxyphenyl)-5-methylpyridine
CID 56710784
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-5-methylpyridine?
The IUPAC name of 2-chloro-3-methoxy-5-methylpyridine (CID 46318108) is 2-chloro-3-methoxy-5-methylpyridine.
What is the SMILES notation for 2-chloro-3-methoxy-5-methylpyridine?
The canonical SMILES for 2-chloro-3-methoxy-5-methylpyridine is COc1cc(C)cnc1Cl.
What is the InChIKey of 2-chloro-3-methoxy-5-methylpyridine?
The InChIKey is HNYOWJROVIRPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5-3-6(10-2)7(8)9-4-5/h3-4H,1-2H3.
What are the key properties of 2-chloro-3-methoxy-5-methylpyridine?
2-chloro-3-methoxy-5-methylpyridine has a molecular weight of 157.60 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-5-methylpyridine is sourced from PubChem (CID 46318108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).