2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine

C10H12ClNO — CID 137371492

IUPAC2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine
SMILESC=C(OCC)c1ccc(C)nc1Cl
InChIInChI=1S/C10H12ClNO/c1-4-13-8(3)9-6-5-7(2)12-10(9)11/h5-6H,3-4H2,1-2H3
InChIKeyITYSKDUXAKFMNB-UHFFFAOYSA-N
MW197.66 g/mol
LogP3.05
Rot. Bonds3

About 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine

2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine (PubChem CID 137371492) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine
PubChem CID137371492
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine
SMILESC=C(OCC)c1ccc(C)nc1Cl
InChIInChI=1S/C10H12ClNO/c1-4-13-8(3)9-6-5-7(2)12-10(9)11/h5-6H,3-4H2,1-2H3
InChIKeyITYSKDUXAKFMNB-UHFFFAOYSA-N
XLogP3.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine?
The IUPAC name of 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine (CID 137371492) is 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine.
What is the SMILES notation for 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine?
The canonical SMILES for 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine is C=C(OCC)c1ccc(C)nc1Cl.
What is the InChIKey of 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine?
The InChIKey is ITYSKDUXAKFMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-4-13-8(3)9-6-5-7(2)12-10(9)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine?
2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine has a molecular weight of 197.66 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine is sourced from PubChem (CID 137371492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).