(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol

C11H9ClFNO — CID 58125399

IUPAC(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol
SMILESCc1nc2cccc(F)c2c(Cl)c1CO
InChIInChI=1S/C11H9ClFNO/c1-6-7(5-15)11(12)10-8(13)3-2-4-9(10)14-6/h2-4,15H,5H2,1H3
InChIKeyQRLZANPSYXIRBO-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.83
Rot. Bonds1

About (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol

(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol (PubChem CID 58125399) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol
PubChem CID58125399
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol
SMILESCc1nc2cccc(F)c2c(Cl)c1CO
InChIInChI=1S/C11H9ClFNO/c1-6-7(5-15)11(12)10-8(13)3-2-4-9(10)14-6/h2-4,15H,5H2,1H3
InChIKeyQRLZANPSYXIRBO-UHFFFAOYSA-N
XLogP2.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol?
The IUPAC name of (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol (CID 58125399) is (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol.
What is the SMILES notation for (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol?
The canonical SMILES for (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol is Cc1nc2cccc(F)c2c(Cl)c1CO.
What is the InChIKey of (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol?
The InChIKey is QRLZANPSYXIRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-6-7(5-15)11(12)10-8(13)3-2-4-9(10)14-6/h2-4,15H,5H2,1H3.
What are the key properties of (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol?
(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol has a molecular weight of 225.65 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol is sourced from PubChem (CID 58125399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).