(3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol

C11H9ClFNO2 — CID 139341108

IUPAC(3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol
SMILESCOC(O)c1cc(F)c2ncc(Cl)cc2c1
InChIInChI=1S/C11H9ClFNO2/c1-16-11(15)7-2-6-3-8(12)5-14-10(6)9(13)4-7/h2-5,11,15H,1H3
InChIKeyUNNZDTPPJNDXQC-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.66
Rot. Bonds2

About (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol

(3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol (PubChem CID 139341108) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol.

Molecular Properties

Compound Name(3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol
PubChem CID139341108
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name(3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol
SMILESCOC(O)c1cc(F)c2ncc(Cl)cc2c1
InChIInChI=1S/C11H9ClFNO2/c1-16-11(15)7-2-6-3-8(12)5-14-10(6)9(13)4-7/h2-5,11,15H,1H3
InChIKeyUNNZDTPPJNDXQC-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine
CID 154404062
(3-chloro-4-fluorophenyl)-methoxymethanol
CID 175241908
methane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate;methyl 8-fluoroquinoline-6-carboxylate
CID 157232582
2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide
CID 134178070
methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 118665111
(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
CID 146531706
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 79780694
(2-aminopyrimidin-5-yl)-methoxymethanol
CID 126747631
6-chloro-8-fluoroquinazoline
CID 156761825

Frequently Asked Questions

What is the IUPAC name of (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol?
The IUPAC name of (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol (CID 139341108) is (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol.
What is the SMILES notation for (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol?
The canonical SMILES for (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol is COC(O)c1cc(F)c2ncc(Cl)cc2c1.
What is the InChIKey of (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol?
The InChIKey is UNNZDTPPJNDXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-16-11(15)7-2-6-3-8(12)5-14-10(6)9(13)4-7/h2-5,11,15H,1H3.
What are the key properties of (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol?
(3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol has a molecular weight of 241.65 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol is sourced from PubChem (CID 139341108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).