(E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol

C12H9ClFNO — CID 73349480

IUPAC(E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc2c(F)c(Cl)ccc2n1
InChIInChI=1S/C12H9ClFNO/c13-10-5-6-11-9(12(10)14)4-3-8(15-11)2-1-7-16/h1-6,16H,7H2/b2-1+
InChIKeyPPBIVZSMRAYAJL-OWOJBTEDSA-N
MW237.66 g/mol
LogP3.03
Rot. Bonds2

About (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol

(E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol (PubChem CID 73349480) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol
PubChem CID73349480
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name(E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc2c(F)c(Cl)ccc2n1
InChIInChI=1S/C12H9ClFNO/c13-10-5-6-11-9(12(10)14)4-3-8(15-11)2-1-7-16/h1-6,16H,7H2/b2-1+
InChIKeyPPBIVZSMRAYAJL-OWOJBTEDSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol (CID 73349480) is (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol is OC/C=C/c1ccc2c(F)c(Cl)ccc2n1.
What is the InChIKey of (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol?
The InChIKey is PPBIVZSMRAYAJL-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-10-5-6-11-9(12(10)14)4-3-8(15-11)2-1-7-16/h1-6,16H,7H2/b2-1+.
What are the key properties of (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol?
(E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol has a molecular weight of 237.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 73349480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).