(E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol

C14H11Cl2NO — CID 137298645

IUPAC(E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol
SMILESC/C(=C(\O)c1cccc(Cl)c1Cl)c1ccccn1
InChIInChI=1S/C14H11Cl2NO/c1-9(12-7-2-3-8-17-12)14(18)10-5-4-6-11(15)13(10)16/h2-8,18H,1H3/b14-9+
InChIKeyVANYCLPCLWHBTJ-NTEUORMPSA-N
MW280.15 g/mol
LogP4.83
Rot. Bonds2

About (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol

(E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol (PubChem CID 137298645) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol
PubChem CID137298645
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name(E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol
SMILESC/C(=C(\O)c1cccc(Cl)c1Cl)c1ccccn1
InChIInChI=1S/C14H11Cl2NO/c1-9(12-7-2-3-8-17-12)14(18)10-5-4-6-11(15)13(10)16/h2-8,18H,1H3/b14-9+
InChIKeyVANYCLPCLWHBTJ-NTEUORMPSA-N
XLogP4.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol?
The IUPAC name of (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol (CID 137298645) is (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol.
What is the SMILES notation for (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol?
The canonical SMILES for (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol is C/C(=C(\O)c1cccc(Cl)c1Cl)c1ccccn1.
What is the InChIKey of (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol?
The InChIKey is VANYCLPCLWHBTJ-NTEUORMPSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-9(12-7-2-3-8-17-12)14(18)10-5-4-6-11(15)13(10)16/h2-8,18H,1H3/b14-9+.
What are the key properties of (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol?
(E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol has a molecular weight of 280.15 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dichlorophenyl)-2-pyridin-2-ylprop-1-en-1-ol is sourced from PubChem (CID 137298645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).