2-chloro-4-methyl-3-prop-2-enoxypyridine

C9H10ClNO — CID 126996190

IUPAC2-chloro-4-methyl-3-prop-2-enoxypyridine
SMILESC=CCOc1c(C)ccnc1Cl
InChIInChI=1S/C9H10ClNO/c1-3-6-12-8-7(2)4-5-11-9(8)10/h3-5H,1,6H2,2H3
InChIKeyNSKSTGPLZAKEAL-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.61
Rot. Bonds3

About 2-chloro-4-methyl-3-prop-2-enoxypyridine

2-chloro-4-methyl-3-prop-2-enoxypyridine (PubChem CID 126996190) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-4-methyl-3-prop-2-enoxypyridine.

Molecular Properties

Compound Name2-chloro-4-methyl-3-prop-2-enoxypyridine
PubChem CID126996190
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-chloro-4-methyl-3-prop-2-enoxypyridine
SMILESC=CCOc1c(C)ccnc1Cl
InChIInChI=1S/C9H10ClNO/c1-3-6-12-8-7(2)4-5-11-9(8)10/h3-5H,1,6H2,2H3
InChIKeyNSKSTGPLZAKEAL-UHFFFAOYSA-N
XLogP2.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-3-prop-2-enoxypyridine?
The IUPAC name of 2-chloro-4-methyl-3-prop-2-enoxypyridine (CID 126996190) is 2-chloro-4-methyl-3-prop-2-enoxypyridine.
What is the SMILES notation for 2-chloro-4-methyl-3-prop-2-enoxypyridine?
The canonical SMILES for 2-chloro-4-methyl-3-prop-2-enoxypyridine is C=CCOc1c(C)ccnc1Cl.
What is the InChIKey of 2-chloro-4-methyl-3-prop-2-enoxypyridine?
The InChIKey is NSKSTGPLZAKEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-3-6-12-8-7(2)4-5-11-9(8)10/h3-5H,1,6H2,2H3.
What are the key properties of 2-chloro-4-methyl-3-prop-2-enoxypyridine?
2-chloro-4-methyl-3-prop-2-enoxypyridine has a molecular weight of 183.64 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-3-prop-2-enoxypyridine is sourced from PubChem (CID 126996190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).