5-chloro-3-methoxy-2-prop-2-ynoxypyridine

C9H8ClNO2 — CID 11356063

IUPAC5-chloro-3-methoxy-2-prop-2-ynoxypyridine
SMILESC#CCOc1ncc(Cl)cc1OC
InChIInChI=1S/C9H8ClNO2/c1-3-4-13-9-8(12-2)5-7(10)6-11-9/h1,5-6H,4H2,2H3
InChIKeyDUIKBNSDPKMHMF-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.76
Rot. Bonds3

About 5-chloro-3-methoxy-2-prop-2-ynoxypyridine

5-chloro-3-methoxy-2-prop-2-ynoxypyridine (PubChem CID 11356063) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-prop-2-ynoxypyridine.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-prop-2-ynoxypyridine
PubChem CID11356063
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name5-chloro-3-methoxy-2-prop-2-ynoxypyridine
SMILESC#CCOc1ncc(Cl)cc1OC
InChIInChI=1S/C9H8ClNO2/c1-3-4-13-9-8(12-2)5-7(10)6-11-9/h1,5-6H,4H2,2H3
InChIKeyDUIKBNSDPKMHMF-UHFFFAOYSA-N
XLogP1.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-prop-2-ynoxypyridine?
The IUPAC name of 5-chloro-3-methoxy-2-prop-2-ynoxypyridine (CID 11356063) is 5-chloro-3-methoxy-2-prop-2-ynoxypyridine.
What is the SMILES notation for 5-chloro-3-methoxy-2-prop-2-ynoxypyridine?
The canonical SMILES for 5-chloro-3-methoxy-2-prop-2-ynoxypyridine is C#CCOc1ncc(Cl)cc1OC.
What is the InChIKey of 5-chloro-3-methoxy-2-prop-2-ynoxypyridine?
The InChIKey is DUIKBNSDPKMHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-3-4-13-9-8(12-2)5-7(10)6-11-9/h1,5-6H,4H2,2H3.
What are the key properties of 5-chloro-3-methoxy-2-prop-2-ynoxypyridine?
5-chloro-3-methoxy-2-prop-2-ynoxypyridine has a molecular weight of 197.62 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-prop-2-ynoxypyridine is sourced from PubChem (CID 11356063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).