1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol

C10H12ClNO2 — CID 18799939

IUPAC1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol
SMILESC=Cc1cc(C(C)O)nc(Cl)c1OC
InChIInChI=1S/C10H12ClNO2/c1-4-7-5-8(6(2)13)12-10(11)9(7)14-3/h4-6,13H,1H2,2-3H3
InChIKeyBHHKZTXFFAEPHB-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.44
Rot. Bonds3

About 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol

1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol (PubChem CID 18799939) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol
PubChem CID18799939
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol
SMILESC=Cc1cc(C(C)O)nc(Cl)c1OC
InChIInChI=1S/C10H12ClNO2/c1-4-7-5-8(6(2)13)12-10(11)9(7)14-3/h4-6,13H,1H2,2-3H3
InChIKeyBHHKZTXFFAEPHB-UHFFFAOYSA-N
XLogP2.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol?
The IUPAC name of 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol (CID 18799939) is 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol?
The canonical SMILES for 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol is C=Cc1cc(C(C)O)nc(Cl)c1OC.
What is the InChIKey of 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol?
The InChIKey is BHHKZTXFFAEPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-4-7-5-8(6(2)13)12-10(11)9(7)14-3/h4-6,13H,1H2,2-3H3.
What are the key properties of 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol?
1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol has a molecular weight of 213.66 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-ethenyl-5-methoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 18799939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).